5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C17H15ClN4O2 — CID 166204209

IUPAC5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H15ClN4O2/c18-12-3-1-2-10(8-12)11-6-7-22(9-11)16(23)14-5-4-13-15(19-14)21-17(24)20-13/h1-5,8,11H,6-7,9H2,(H2,19,20,21,24)
InChIKeyULUCRHLULMBVEB-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.53
Rot. Bonds2

About 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 166204209) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID166204209
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H15ClN4O2/c18-12-3-1-2-10(8-12)11-6-7-22(9-11)16(23)14-5-4-13-15(19-14)21-17(24)20-13/h1-5,8,11H,6-7,9H2,(H2,19,20,21,24)
InChIKeyULUCRHLULMBVEB-UHFFFAOYSA-N
XLogP2.53
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590
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CID 99978950
[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 26407162
[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone
CID 170503246
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629
[3-(3-chlorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(2-chloro-4-pyridinyl)methanone
CID 75259806
[3-(2,4-dichlorophenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 170548700
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 166204209) is 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is ULUCRHLULMBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-3-1-2-10(8-12)11-6-7-22(9-11)16(23)14-5-4-13-15(19-14)21-17(24)20-13/h1-5,8,11H,6-7,9H2,(H2,19,20,21,24).
What are the key properties of 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 342.79 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 166204209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).