5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one

C24H22F4N2O3 — CID 152812232

IUPAC5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one
SMILESCC(C)(O)Cn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C24H22F4N2O3/c1-23(2,33)14-30-13-16(7-10-21(30)32)20(31)12-18(22-19(25)4-3-11-29-22)15-5-8-17(9-6-15)24(26,27)28/h3-11,13,18,33H,12,14H2,1-2H3/t18-/m0/s1
InChIKeySRJUIWIFMCEZPS-SFHVURJKSA-N
MW462.44 g/mol
LogP4.58
Rot. Bonds7

About 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one

5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one (PubChem CID 152812232) has the molecular formula C24H22F4N2O3 and a molecular weight of 462.44 g/mol. Its IUPAC name is 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one
PubChem CID152812232
Molecular FormulaC24H22F4N2O3
Molecular Weight462.44 g/mol
Exact Mass462.16
IUPAC Name5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one
SMILESCC(C)(O)Cn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C24H22F4N2O3/c1-23(2,33)14-30-13-16(7-10-21(30)32)20(31)12-18(22-19(25)4-3-11-29-22)15-5-8-17(9-6-15)24(26,27)28/h3-11,13,18,33H,12,14H2,1-2H3/t18-/m0/s1
InChIKeySRJUIWIFMCEZPS-SFHVURJKSA-N
XLogP4.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one
CID 158634639
2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 71144576
7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
CID 157063350
6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-3H-1-benzofuran-2-one
CID 162088166
(3S)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 157277176
methyl 4-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoyl]benzoate
CID 162112611
(3S)-1-[4-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 149205544
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 71144622
5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one
CID 146689953
(1S)-4-methoxy-4-methyl-1-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-one
CID 149099774
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71144093

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one?
The IUPAC name of 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one (CID 152812232) is 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one is CC(C)(O)Cn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O.
What is the InChIKey of 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one?
The InChIKey is SRJUIWIFMCEZPS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22F4N2O3/c1-23(2,33)14-30-13-16(7-10-21(30)32)20(31)12-18(22-19(25)4-3-11-29-22)15-5-8-17(9-6-15)24(26,27)28/h3-11,13,18,33H,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one?
5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one has a molecular weight of 462.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 152812232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).