Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Practical Synthesis of 7-Bromo-4-chloro-1H-indazol-3-amine: An Important Intermediate to Lenacapavir

ABSTRACT:

SUBMITTER:

PROVIDER: S-EPMC11206596 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1,3-Dimethyl-1H-indazol-6-amine.

Project description:The mol-ecular skeleton of the title compound, C(9)H(11)N(3), is almost planar, with a maximum deviation of 0.0325 (19) Å for the amino N atom. In the crystal, N-H⋯N hydrogen bonds establish the packing.

| S-EPMC3344439 | biostudies-literature

N-[(E)-Quinoxalin-2-ylmethyl-idene]-1H-indazol-5-amine.

Project description:In the title mol-ecule, C(16)H(11)N(5), the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62 (5)°. In the crystal, weak inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into zigzag chains extending in the [001] direction. The crystal packing also exhibits π-π inter-actions [centroid-centroid distances of 3.7080 (2) and 3.8220 (5) Å], which form stacks of the mol-ecules parallel to the a axis.

| S-EPMC2977485 | biostudies-literature

5-Bromo-2-chloro-pyrimidin-4-amine.

Project description:In the title compound, C4H3BrClN3, the pyrimidine ring is essentially planar (r.m.s. deviation from the plane = 0.087 Å). In the crystal, pairs of N-H⋯N hydrogen bonds connect the mol-ecules into inversion dimers; these are connected by further N-H⋯N hydrogen bonds into a two-dimensional framework parallel to the bc plane.

| S-EPMC3629628 | biostudies-literature

N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methylbenzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C15H14ClN3O2S, contains two independent mol-ecules showing different conformations: in one mol-ecule, the indazole ring system makes a dihedral angle of 51.5 (1)° with the benzene ring whereas in the other, the indazole unit is almost perpendicular to the benzene ring [dihedral angle 77.7 (1)°]. In the crystal, the mol-ecules are linked by N-H⋯N and N-H⋯O hydrogen bonds, forming a set of four mol-ecules linked in pairs about an inversion centre.

| S-EPMC3998334 | biostudies-literature

N-(3-Chloro-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2 (1)°. The mean plane through the indazole system makes a dihedral angle of 30.75 (7)° with the distant benzene ring. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (001).

| S-EPMC3884302 | biostudies-literature

N-(2-Chloro-pyrimidin-4-yl)-N,2-di-methyl-2H-indazol-6-amine.

Project description:In the title compound, C(13)H(12)ClN(5), which is a derivative of the anti-tumor agent pazopanib {systematic name: 5-[[4-[(2,3-di-methyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methylbenzolsulfonamide}, the indazole and pyrim-idine fragments form a dihedral angle of 62.63 (5)°. In the crystal, pairs of mol-ecules related by twofold rotational symmetry are linked into dimers through π-π inter-actions between the indazole ring systems [centroid-centroid distance = 3.720 (2) Å]. Weak inter-molecular C-H⋯N hydrogen bonds further assemble these dimers into columns propagated in [001].

| S-EPMC3009102 | biostudies-literature

N-(2-Chloro-pyrimidin-4-yl)-2-methyl-2H-indazol-6-amine methanol monosolvate.

Project description:In the title compound, C(12)H(10)ClN(5)·CH(3)OH, the indazole ring system and the pyrimidine ring make a dihedral angle of 23.86 (4)°. In the crystal, the components are linked by N-H⋯O and O-H⋯N hydrogen bonds into chains propagated in [010]. Inter-molecular π-π inter-actions [centroid-centroid distances = 3.6404 (9), 3.6725 (9) and 3.4566 (9) Å] between the rings of neighbouring chains also stabilize the crystal packing.

| S-EPMC3120303 | biostudies-literature

5-Chloro-1-phenyl-1H-pyrazol-4-amine.

Project description:In the crystal structure of the title compound, C(9)H(8)ClN(3), amino-pyrazole N-H⋯N hydrogen bonds connect the mol-ecules along the [010] direction; the chains interact with each other only by van der Waals-type inter-actions. The pyrazole and phenyl rings are inclined at a dihedral angle of 45.65 (6)°

| S-EPMC3200699 | biostudies-literature

N-(1-Allyl-3-chloro-4-eth-oxy-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C19H20ClN3O3S, the benzene ring is inclined to the indazole ring system by 51.23 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers which stack in columns parallel to [011]. The atoms in the allyl group are disordered over two sets of sites with an occupancy ratio of 0.624 (8):0.376 (8).

| S-EPMC4051038 | biostudies-literature

Crystal structure of N-(1-allyl-3-chloro-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description:The 3-chloro-1H-indazole system in the title mol-ecule, C17H16ClN3O2S, is almost planar, with the largest deviation from the mean plane being 0.029 (2) Å for one of the N atoms. This system is nearly perpendicular to the allyl chain, as indicated by the C-C-N-N torsion angle of -90.1 (6)° between them. The allyl group is split into two fragments, the major component has a site occupancy of 0.579 (7). The indazole system makes a dihedral angle of 47.53 (10)° with the plane through the benzene ring. In the crystal, mol-ecules are connected by N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC4186064 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data