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

C23H27N5O — CID 95108431

IUPAC(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC[C@H](n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C23H27N5O/c29-23(25-15-17-7-2-1-3-8-17)27-14-12-19(16-27)28-21(18-9-4-5-10-18)26-20-11-6-13-24-22(20)28/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,25,29)/t19-/m0/s1
InChIKeyFVXNOSXUQMBTQN-IBGZPJMESA-N
MW389.50 g/mol
LogP4.25
Rot. Bonds4

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

(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 95108431) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID95108431
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC[C@H](n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C23H27N5O/c29-23(25-15-17-7-2-1-3-8-17)27-14-12-19(16-27)28-21(18-9-4-5-10-18)26-20-11-6-13-24-22(20)28/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,25,29)/t19-/m0/s1
InChIKeyFVXNOSXUQMBTQN-IBGZPJMESA-N
XLogP4.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
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
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 53186802
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925
2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42276477
(3R)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95108517
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 95108431) is (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccccc1)N1CC[C@H](n2c(C3CCCC3)nc3cccnc32)C1.
What is the InChIKey of (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is FVXNOSXUQMBTQN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(25-15-17-7-2-1-3-8-17)27-14-12-19(16-27)28-21(18-9-4-5-10-18)26-20-11-6-13-24-22(20)28/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,25,29)/t19-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95108431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).