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

C24H29N5O2 — CID 53186908

IUPAC3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-2-31-20-11-9-18(10-12-20)26-24(30)28-15-13-19(16-28)29-22(17-6-3-4-7-17)27-21-8-5-14-25-23(21)29/h5,8-12,14,17,19H,2-4,6-7,13,15-16H2,1H3,(H,26,30)
InChIKeyHVIGRGWUAVGJHC-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.97
Rot. Bonds5

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

3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 53186908) 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-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID53186908
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-2-31-20-11-9-18(10-12-20)26-24(30)28-15-13-19(16-28)29-22(17-6-3-4-7-17)27-21-8-5-14-25-23(21)29/h5,8-12,14,17,19H,2-4,6-7,13,15-16H2,1H3,(H,26,30)
InChIKeyHVIGRGWUAVGJHC-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286663
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
N-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108456

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (CID 53186908) is 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(n3c(C4CCCC4)nc4cccnc43)C2)cc1.
What is the InChIKey of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HVIGRGWUAVGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-31-20-11-9-18(10-12-20)26-24(30)28-15-13-19(16-28)29-22(17-6-3-4-7-17)27-21-8-5-14-25-23(21)29/h5,8-12,14,17,19H,2-4,6-7,13,15-16H2,1H3,(H,26,30).
What are the key properties of 3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.97, 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-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53186908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).