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

C22H18F4N2O2 — CID 158634639

IUPAC1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one
SMILESCCn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C22H18F4N2O2/c1-2-28-13-15(7-10-20(28)30)19(29)12-17(21-18(23)4-3-11-27-21)14-5-8-16(9-6-14)22(24,25)26/h3-11,13,17H,2,12H2,1H3/t17-/m0/s1
InChIKeyHZPTVYDTIVZIDR-KRWDZBQOSA-N
MW418.39 g/mol
LogP4.83
Rot. Bonds6

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

1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one (PubChem CID 158634639) has the molecular formula C22H18F4N2O2 and a molecular weight of 418.39 g/mol. Its IUPAC name is 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one
PubChem CID158634639
Molecular FormulaC22H18F4N2O2
Molecular Weight418.39 g/mol
Exact Mass418.13
IUPAC Name1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one
SMILESCCn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C22H18F4N2O2/c1-2-28-13-15(7-10-20(28)30)19(29)12-17(21-18(23)4-3-11-27-21)14-5-8-16(9-6-14)22(24,25)26/h3-11,13,17H,2,12H2,1H3/t17-/m0/s1
InChIKeyHZPTVYDTIVZIDR-KRWDZBQOSA-N
XLogP4.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one
CID 152812232
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
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71144093
(3S)-3-(3-fluoro-2-pyridinyl)-1-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 149380733

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one (CID 158634639) is 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one is CCn1cc(C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one?
The InChIKey is HZPTVYDTIVZIDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18F4N2O2/c1-2-28-13-15(7-10-20(28)30)19(29)12-17(21-18(23)4-3-11-27-21)14-5-8-16(9-6-14)22(24,25)26/h3-11,13,17H,2,12H2,1H3/t17-/m0/s1.
What are the key properties of 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one?
1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one has a molecular weight of 418.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one is sourced from PubChem (CID 158634639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).