4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide

C22H16ClN5O — CID 135870699

IUPAC4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C22H16ClN5O/c1-28(22(29)13-6-8-14(23)9-7-13)20-11-10-17-18(25-20)12-19(24-17)21-15-4-2-3-5-16(15)26-27-21/h2-12,24H,1H3,(H,26,27)
InChIKeyYZBMHYSRLZDPID-UHFFFAOYSA-N
MW401.86 g/mol
LogP5.04
Rot. Bonds3

About 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide

4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 135870699) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
PubChem CID135870699
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C22H16ClN5O/c1-28(22(29)13-6-8-14(23)9-7-13)20-11-10-17-18(25-20)12-19(24-17)21-15-4-2-3-5-16(15)26-27-21/h2-12,24H,1H3,(H,26,27)
InChIKeyYZBMHYSRLZDPID-UHFFFAOYSA-N
XLogP5.04
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.86
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
(2R,4R)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 168298342
(2R)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 168298889
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)benzamide
CID 11518712
4-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]benzene-1,4-dicarboxamide
CID 11547838
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)-2-fluorobenzamide
CID 11569660
3-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-1H-indazole-6-carboxamide
CID 11720429
(2-chlorophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53319646
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-methylbenzamide
CID 66674328
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 118879437
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
CID 135870688
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide
CID 72734885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide (CID 135870699) is 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1.
What is the InChIKey of 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
The InChIKey is YZBMHYSRLZDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-28(22(29)13-6-8-14(23)9-7-13)20-11-10-17-18(25-20)12-19(24-17)21-15-4-2-3-5-16(15)26-27-21/h2-12,24H,1H3,(H,26,27).
What are the key properties of 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide?
4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 401.86 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 135870699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).