3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide

C31H32N6O2 — CID 123190930

IUPAC3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1nc2ccccc2n1CC1(O)CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)C1
InChIInChI=1S/C31H32N6O2/c1-19-33-26-6-2-3-7-28(26)37(19)18-31(39)13-4-5-23(17-31)34-30(38)22-10-11-25-24(15-22)29(36-35-25)21-12-14-32-27(16-21)20-8-9-20/h2-3,6-7,10-12,14-16,20,23,39H,4-5,8-9,13,17-18H2,1H3,(H,34,38)(H,35,36)
InChIKeyVAOATKXYFBMPBJ-UHFFFAOYSA-N
MW520.64 g/mol
LogP5.26
Rot. Bonds6

About 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide

3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 123190930) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID123190930
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1nc2ccccc2n1CC1(O)CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)C1
InChIInChI=1S/C31H32N6O2/c1-19-33-26-6-2-3-7-28(26)37(19)18-31(39)13-4-5-23(17-31)34-30(38)22-10-11-25-24(15-22)29(36-35-25)21-12-14-32-27(16-21)20-8-9-20/h2-3,6-7,10-12,14-16,20,23,39H,4-5,8-9,13,17-18H2,1H3,(H,34,38)(H,35,36)
InChIKeyVAOATKXYFBMPBJ-UHFFFAOYSA-N
XLogP5.26
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide 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

N-[3-hydroxy-3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 86282552
N-[(1R,3R)-3-hydroxy-3-(imidazo[4,5-b]pyridin-3-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57411032
N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 67985835
N-[(1S,3S)-3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57411730
N-[3-[difluoro(phenyl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57410535
3-(1,3-benzothiazol-6-yl)-N-[3-[(2-fluorophenyl)methyl]-3-hydroxycyclohexyl]-1H-indazole-5-carboxamide
CID 67985185
N-[(1R,3R)-3-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxycyclohexyl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 67985062
N-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123840975
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
N-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 163429179
N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652202
N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
CID 86630178

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide (CID 123190930) is 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide is Cc1nc2ccccc2n1CC1(O)CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)C1.
What is the InChIKey of 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is VAOATKXYFBMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2/c1-19-33-26-6-2-3-7-28(26)37(19)18-31(39)13-4-5-23(17-31)34-30(38)22-10-11-25-24(15-22)29(36-35-25)21-12-14-32-27(16-21)20-8-9-20/h2-3,6-7,10-12,14-16,20,23,39H,4-5,8-9,13,17-18H2,1H3,(H,34,38)(H,35,36).
What are the key properties of 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 123190930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).