2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

C21H23FN4O — CID 83272939

IUPAC2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)n1c(C2CCN(C(=O)Cc3ccccc3F)C2)nc2ccncc21
InChIInChI=1S/C21H23FN4O/c1-14(2)26-19-12-23-9-7-18(19)24-21(26)16-8-10-25(13-16)20(27)11-15-5-3-4-6-17(15)22/h3-7,9,12,14,16H,8,10-11,13H2,1-2H3
InChIKeyUBEHXFIXFDERRX-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 83272939) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID83272939
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)n1c(C2CCN(C(=O)Cc3ccccc3F)C2)nc2ccncc21
InChIInChI=1S/C21H23FN4O/c1-14(2)26-19-12-23-9-7-18(19)24-21(26)16-8-10-25(13-16)20(27)11-15-5-3-4-6-17(15)22/h3-7,9,12,14,16H,8,10-11,13H2,1-2H3
InChIKeyUBEHXFIXFDERRX-UHFFFAOYSA-N
XLogP3.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 71835908
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
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
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
(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429488
(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone (CID 83272939) is 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is CC(C)n1c(C2CCN(C(=O)Cc3ccccc3F)C2)nc2ccncc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is UBEHXFIXFDERRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14(2)26-19-12-23-9-7-18(19)24-21(26)16-8-10-25(13-16)20(27)11-15-5-3-4-6-17(15)22/h3-7,9,12,14,16H,8,10-11,13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 366.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).