3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C24H29N5O2 — CID 53186906

IUPAC3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)c1
InChIInChI=1S/C24H29N5O2/c1-31-20-9-4-6-17(14-20)15-26-24(30)28-13-11-19(16-28)29-22(18-7-2-3-8-18)27-21-10-5-12-25-23(21)29/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3,(H,26,30)
InChIKeyWDBDOCNEFIMKAF-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.25
Rot. Bonds5

About 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 53186906) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID53186906
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)c1
InChIInChI=1S/C24H29N5O2/c1-31-20-9-4-6-17(14-20)15-26-24(30)28-13-11-19(16-28)29-22(18-7-2-3-8-18)27-21-10-5-12-25-23(21)29/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3,(H,26,30)
InChIKeyWDBDOCNEFIMKAF-UHFFFAOYSA-N
XLogP4.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 50847066
cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 53186906) is 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)c1.
What is the InChIKey of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is WDBDOCNEFIMKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-20-9-4-6-17(14-20)15-26-24(30)28-13-11-19(16-28)29-22(18-7-2-3-8-18)27-21-10-5-12-25-23(21)29/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3,(H,26,30).
What are the key properties of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).