N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide

C29H30N4O4 — CID 67545489

IUPACN-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3(CNC(=O)c4n[nH]c5ccccc45)CCCC3)c2)cc1OC
InChIInChI=1S/C29H30N4O4/c1-36-24-13-12-19(16-25(24)37-2)27(34)31-21-9-7-8-20(17-21)29(14-5-6-15-29)18-30-28(35)26-22-10-3-4-11-23(22)32-33-26/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyISSCBBSRVYGXCP-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.07
Rot. Bonds8

About N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide

N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 67545489) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
PubChem CID67545489
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3(CNC(=O)c4n[nH]c5ccccc45)CCCC3)c2)cc1OC
InChIInChI=1S/C29H30N4O4/c1-36-24-13-12-19(16-25(24)37-2)27(34)31-21-9-7-8-20(17-21)29(14-5-6-15-29)18-30-28(35)26-22-10-3-4-11-23(22)32-33-26/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyISSCBBSRVYGXCP-UHFFFAOYSA-N
XLogP5.07
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 17488509
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 25103426
N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
CID 67545488
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 161116997
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 103800055
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]benzamide
CID 36598328
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide (CID 67545489) is N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide is COc1ccc(C(=O)Nc2cccc(C3(CNC(=O)c4n[nH]c5ccccc45)CCCC3)c2)cc1OC.
What is the InChIKey of N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is ISSCBBSRVYGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-36-24-13-12-19(16-25(24)37-2)27(34)31-21-9-7-8-20(17-21)29(14-5-6-15-29)18-30-28(35)26-22-10-3-4-11-23(22)32-33-26/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,30,35)(H,31,34)(H,32,33).
What are the key properties of N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide?
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67545489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).