1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone

C24H28N4O2 — CID 95108227

IUPAC1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CC[C@H](n3c(C4CCCC4)nc4cccnc43)C2)c1
InChIInChI=1S/C24H28N4O2/c1-30-20-9-4-6-17(14-20)15-22(29)27-13-11-19(16-27)28-23(18-7-2-3-8-18)26-21-10-5-12-25-24(21)28/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3/t19-/m0/s1
InChIKeyMRPSQGMKGUCIRG-IBGZPJMESA-N
MW404.51 g/mol
LogP4.11
Rot. Bonds5

About 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone

1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 95108227) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID95108227
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CC[C@H](n3c(C4CCCC4)nc4cccnc43)C2)c1
InChIInChI=1S/C24H28N4O2/c1-30-20-9-4-6-17(14-20)15-22(29)27-13-11-19(16-27)28-23(18-7-2-3-8-18)26-21-10-5-12-25-24(21)28/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3/t19-/m0/s1
InChIKeyMRPSQGMKGUCIRG-IBGZPJMESA-N
XLogP4.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
1-[4-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 42478959
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
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
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 95108227) is 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CC[C@H](n3c(C4CCCC4)nc4cccnc43)C2)c1.
What is the InChIKey of 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is MRPSQGMKGUCIRG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-20-9-4-6-17(14-20)15-22(29)27-13-11-19(16-27)28-23(18-7-2-3-8-18)26-21-10-5-12-25-24(21)28/h4-6,9-10,12,14,18-19H,2-3,7-8,11,13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 404.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 95108227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).