(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C19H19ClN4O — CID 95110110

IUPAC(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2cccnc21
InChIInChI=1S/C19H19ClN4O/c1-2-24-17(22-16-7-4-9-21-18(16)24)14-8-10-23(12-14)19(25)13-5-3-6-15(20)11-13/h3-7,9,11,14H,2,8,10,12H2,1H3/t14-/m1/s1
InChIKeyGVFRLWHZCZJUQF-CQSZACIVSA-N
MW354.84 g/mol
LogP3.73
Rot. Bonds3

About (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95110110) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID95110110
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2cccnc21
InChIInChI=1S/C19H19ClN4O/c1-2-24-17(22-16-7-4-9-21-18(16)24)14-8-10-23(12-14)19(25)13-5-3-6-15(20)11-13/h3-7,9,11,14H,2,8,10,12H2,1H3/t14-/m1/s1
InChIKeyGVFRLWHZCZJUQF-CQSZACIVSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 87054244
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 95110108
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 97416540
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 95110117

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 95110110) is (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is CCn1c([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2cccnc21.
What is the InChIKey of (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GVFRLWHZCZJUQF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-24-17(22-16-7-4-9-21-18(16)24)14-8-10-23(12-14)19(25)13-5-3-6-15(20)11-13/h3-7,9,11,14H,2,8,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.84 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95110110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).