4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide

C30H33ClN4O3 — CID 168938402

IUPAC4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide
SMILESCOc1ccc(Cn2ncc3c(-c4ccc(C(=O)NC5CCC(C(C)(C)O)CC5)cc4)ncc(Cl)c32)cc1
InChIInChI=1S/C30H33ClN4O3/c1-30(2,37)22-10-12-23(13-11-22)34-29(36)21-8-6-20(7-9-21)27-25-16-33-35(28(25)26(31)17-32-27)18-19-4-14-24(38-3)15-5-19/h4-9,14-17,22-23,37H,10-13,18H2,1-3H3,(H,34,36)
InChIKeyOVBFNVLGJLXTCI-UHFFFAOYSA-N
MW533.07 g/mol
LogP5.87
Rot. Bonds7

About 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide

4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide (PubChem CID 168938402) has the molecular formula C30H33ClN4O3 and a molecular weight of 533.07 g/mol. Its IUPAC name is 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide
PubChem CID168938402
Molecular FormulaC30H33ClN4O3
Molecular Weight533.07 g/mol
Exact Mass532.22
IUPAC Name4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide
SMILESCOc1ccc(Cn2ncc3c(-c4ccc(C(=O)NC5CCC(C(C)(C)O)CC5)cc4)ncc(Cl)c32)cc1
InChIInChI=1S/C30H33ClN4O3/c1-30(2,37)22-10-12-23(13-11-22)34-29(36)21-8-6-20(7-9-21)27-25-16-33-35(28(25)26(31)17-32-27)18-19-4-14-24(38-3)15-5-19/h4-9,14-17,22-23,37H,10-13,18H2,1-3H3,(H,34,36)
InChIKeyOVBFNVLGJLXTCI-UHFFFAOYSA-N
XLogP5.87
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.07
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide
CID 168938393
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 162519496
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53049892
8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 137241065
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
CID 117081710
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide?
The IUPAC name of 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide (CID 168938402) is 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide.
What is the SMILES notation for 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide?
The canonical SMILES for 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide is COc1ccc(Cn2ncc3c(-c4ccc(C(=O)NC5CCC(C(C)(C)O)CC5)cc4)ncc(Cl)c32)cc1.
What is the InChIKey of 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide?
The InChIKey is OVBFNVLGJLXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O3/c1-30(2,37)22-10-12-23(13-11-22)34-29(36)21-8-6-20(7-9-21)27-25-16-33-35(28(25)26(31)17-32-27)18-19-4-14-24(38-3)15-5-19/h4-9,14-17,22-23,37H,10-13,18H2,1-3H3,(H,34,36).
What are the key properties of 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide?
4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide has a molecular weight of 533.07 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide is sourced from PubChem (CID 168938402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).