1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C26H29N5O2 — CID 53186802

IUPAC1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C26H29N5O2/c32-23-8-4-15-30(23)20-11-9-19(10-12-20)26(33)29-16-13-21(17-29)31-24(18-5-1-2-6-18)28-22-7-3-14-27-25(22)31/h3,7,9-12,14,18,21H,1-2,4-6,8,13,15-17H2
InChIKeyWOYZQTWPHRMTHV-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 53186802) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID53186802
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C26H29N5O2/c32-23-8-4-15-30(23)20-11-9-19(10-12-20)26(33)29-16-13-21(17-29)31-24(18-5-1-2-6-18)28-22-7-3-14-27-25(22)31/h3,7,9-12,14,18,21H,1-2,4-6,8,13,15-17H2
InChIKeyWOYZQTWPHRMTHV-UHFFFAOYSA-N
XLogP4.30
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 53191198
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 42432778
[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108374
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 53186802) is 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1.
What is the InChIKey of 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is WOYZQTWPHRMTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-23-8-4-15-30(23)20-11-9-19(10-12-20)26(33)29-16-13-21(17-29)31-24(18-5-1-2-6-18)28-22-7-3-14-27-25(22)31/h3,7,9-12,14,18,21H,1-2,4-6,8,13,15-17H2.
What are the key properties of 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 443.55 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 53186802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).