6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one

C30H26F2N2O4 — CID 162071368

IUPAC6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
SMILESCOc1cccc(C)c1-c1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c1O
InChIInChI=1S/C30H26F2N2O4/c1-17-6-5-9-23(38-2)24(17)25-27(18-10-12-20(31)13-11-18)33-29(36)26(28(25)35)30(37)34-15-14-19(16-34)21-7-3-4-8-22(21)32/h3-13,19H,14-16H2,1-2H3,(H2,33,35,36)
InChIKeyZBCYQTSSKHMCFA-UHFFFAOYSA-N
MW516.54 g/mol
LogP5.64
Rot. Bonds5

About 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one

6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (PubChem CID 162071368) has the molecular formula C30H26F2N2O4 and a molecular weight of 516.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
PubChem CID162071368
Molecular FormulaC30H26F2N2O4
Molecular Weight516.54 g/mol
Exact Mass516.19
IUPAC Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
SMILESCOc1cccc(C)c1-c1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c1O
InChIInChI=1S/C30H26F2N2O4/c1-17-6-5-9-23(38-2)24(17)25-27(18-10-12-20(31)13-11-18)33-29(36)26(28(25)35)30(37)34-15-14-19(16-34)21-7-3-4-8-22(21)32/h3-13,19H,14-16H2,1-2H3,(H2,33,35,36)
InChIKeyZBCYQTSSKHMCFA-UHFFFAOYSA-N
XLogP5.64
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-(4-fluorophenyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 160717003
5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032355
3-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-(ethoxymethyl)-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 159624060
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
6-butyl-3-[3-[(2,3-difluorophenyl)methoxy]azetidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one
CID 158161336
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 139557830
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 146342670
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 70741594

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one (CID 162071368) is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is COc1cccc(C)c1-c1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)N2CCC(c3ccccc3F)C2)c1O.
What is the InChIKey of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
The InChIKey is ZBCYQTSSKHMCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N2O4/c1-17-6-5-9-23(38-2)24(17)25-27(18-10-12-20(31)13-11-18)33-29(36)26(28(25)35)30(37)34-15-14-19(16-34)21-7-3-4-8-22(21)32/h3-13,19H,14-16H2,1-2H3,(H2,33,35,36).
What are the key properties of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one?
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one has a molecular weight of 516.54 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(2-methoxy-6-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 162071368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).