N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide

C32H37N3O2 — CID 134567175

IUPACN-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide
SMILESCC1CCC(CCCc2ccc(-c3n[nH]c4ccc(C(=O)NCc5ccccc5)cc34)cc2)CC(O)C1
InChIInChI=1S/C32H37N3O2/c1-22-10-11-24(19-28(36)18-22)9-5-8-23-12-14-26(15-13-23)31-29-20-27(16-17-30(29)34-35-31)32(37)33-21-25-6-3-2-4-7-25/h2-4,6-7,12-17,20,22,24,28,36H,5,8-11,18-19,21H2,1H3,(H,33,37)(H,34,35)
InChIKeyAPVGWFNCPNEQDR-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.67
Rot. Bonds8

About N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide

N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide (PubChem CID 134567175) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide
PubChem CID134567175
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide
SMILESCC1CCC(CCCc2ccc(-c3n[nH]c4ccc(C(=O)NCc5ccccc5)cc34)cc2)CC(O)C1
InChIInChI=1S/C32H37N3O2/c1-22-10-11-24(19-28(36)18-22)9-5-8-23-12-14-26(15-13-23)31-29-20-27(16-17-30(29)34-35-31)32(37)33-21-25-6-3-2-4-7-25/h2-4,6-7,12-17,20,22,24,28,36H,5,8-11,18-19,21H2,1H3,(H,33,37)(H,34,35)
InChIKeyAPVGWFNCPNEQDR-UHFFFAOYSA-N
XLogP6.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
3-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-N-(3-methyl-1-phenylbutyl)-1H-indazole-5-carboxamide
CID 123166280
3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11280967
N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
CID 134567374
3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
CID 20789056
4-[[[2-(3-methylcyclopentyl)acetyl]amino]methyl]benzoic acid
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N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652202
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 70796334
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide (CID 134567175) is N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide is CC1CCC(CCCc2ccc(-c3n[nH]c4ccc(C(=O)NCc5ccccc5)cc34)cc2)CC(O)C1.
What is the InChIKey of N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is APVGWFNCPNEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-22-10-11-24(19-28(36)18-22)9-5-8-23-12-14-26(15-13-23)31-29-20-27(16-17-30(29)34-35-31)32(37)33-21-25-6-3-2-4-7-25/h2-4,6-7,12-17,20,22,24,28,36H,5,8-11,18-19,21H2,1H3,(H,33,37)(H,34,35).
What are the key properties of N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide?
N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-[3-(3-hydroxy-5-methylcycloheptyl)propyl]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 134567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).