3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one

C25H25FN2O4 — CID 172666521

IUPAC3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
SMILESCOc1cccc(C2CCN(C(=O)c3c(C)ccn(-c4ccc(F)cc4)c3=O)C2)c1OC
InChIInChI=1S/C25H25FN2O4/c1-16-11-14-28(19-9-7-18(26)8-10-19)25(30)22(16)24(29)27-13-12-17(15-27)20-5-4-6-21(31-2)23(20)32-3/h4-11,14,17H,12-13,15H2,1-3H3
InChIKeyLPLFYALXKRJUMU-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.93
Rot. Bonds5

About 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one

3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one (PubChem CID 172666521) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
PubChem CID172666521
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
SMILESCOc1cccc(C2CCN(C(=O)c3c(C)ccn(-c4ccc(F)cc4)c3=O)C2)c1OC
InChIInChI=1S/C25H25FN2O4/c1-16-11-14-28(19-9-7-18(26)8-10-19)25(30)22(16)24(29)27-13-12-17(15-27)20-5-4-6-21(31-2)23(20)32-3/h4-11,14,17H,12-13,15H2,1-3H3
InChIKeyLPLFYALXKRJUMU-UHFFFAOYSA-N
XLogP3.93
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 91783433
2-(2,4-difluorophenoxy)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 72912911
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 162071368
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one (CID 172666521) is 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one is COc1cccc(C2CCN(C(=O)c3c(C)ccn(-c4ccc(F)cc4)c3=O)C2)c1OC.
What is the InChIKey of 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one?
The InChIKey is LPLFYALXKRJUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-16-11-14-28(19-9-7-18(26)8-10-19)25(30)22(16)24(29)27-13-12-17(15-27)20-5-4-6-21(31-2)23(20)32-3/h4-11,14,17H,12-13,15H2,1-3H3.
What are the key properties of 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one?
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one has a molecular weight of 436.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172666521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).