(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one

C24H22FNO — CID 154716327

IUPAC(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
SMILESC=C[C@@H](c1cc(C)cc(C)c1)[C@](F)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H22FNO/c1-4-21(20-15-17(2)14-18(3)16-20)24(25,22-12-8-9-13-26-22)23(27)19-10-6-5-7-11-19/h4-16,21H,1H2,2-3H3/t21-,24+/m0/s1
InChIKeyALVPWDNCTKNRKX-XUZZJYLKSA-N
MW359.44 g/mol
LogP5.72
Rot. Bonds6

About (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one

(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one (PubChem CID 154716327) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
PubChem CID154716327
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
SMILESC=C[C@@H](c1cc(C)cc(C)c1)[C@](F)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H22FNO/c1-4-21(20-15-17(2)14-18(3)16-20)24(25,22-12-8-9-13-26-22)23(27)19-10-6-5-7-11-19/h4-16,21H,1H2,2-3H3/t21-,24+/m0/s1
InChIKeyALVPWDNCTKNRKX-XUZZJYLKSA-N
XLogP5.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-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

4-Benzoylpyridine
CID 26731
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
Jwh-368
CID 44418331
2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418355
2-Acetyl-4-methylpyridine
CID 564760
naphthalen-1-yl(1-pentyl-5-phenyl-1H-pyrrol-3-yl)methanone
CID 44418304

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The IUPAC name of (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one (CID 154716327) is (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one.
What is the SMILES notation for (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The canonical SMILES for (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one is C=C[C@@H](c1cc(C)cc(C)c1)[C@](F)(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The InChIKey is ALVPWDNCTKNRKX-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22FNO/c1-4-21(20-15-17(2)14-18(3)16-20)24(25,22-12-8-9-13-26-22)23(27)19-10-6-5-7-11-19/h4-16,21H,1H2,2-3H3/t21-,24+/m0/s1.
What are the key properties of (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
(2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one has a molecular weight of 359.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3,5-dimethylphenyl)-2-fluoro-1-phenyl-2-pyridin-2-ylpent-4-en-1-one is sourced from PubChem (CID 154716327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).