(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C20H21ClN4O — CID 97429422

IUPAC(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c([C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccncc21
InChIInChI=1S/C20H21ClN4O/c1-13(2)25-18-11-22-9-7-17(18)23-19(25)15-8-10-24(12-15)20(26)14-3-5-16(21)6-4-14/h3-7,9,11,13,15H,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyRAMDGXLWDPSRRW-HNNXBMFYSA-N
MW368.87 g/mol
LogP4.30
Rot. Bonds3

About (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97429422) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID97429422
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c([C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccncc21
InChIInChI=1S/C20H21ClN4O/c1-13(2)25-18-11-22-9-7-17(18)23-19(25)15-8-10-24(12-15)20(26)14-3-5-16(21)6-4-14/h3-7,9,11,13,15H,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyRAMDGXLWDPSRRW-HNNXBMFYSA-N
XLogP4.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 83272951
(3S)-N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429506
(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429488
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429352
N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 71835908
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 83272931
(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 97429597
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 97429422) is (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is CC(C)n1c([C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccncc21.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RAMDGXLWDPSRRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13(2)25-18-11-22-9-7-17(18)23-19(25)15-8-10-24(12-15)20(26)14-3-5-16(21)6-4-14/h3-7,9,11,13,15H,8,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 368.87 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).