(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

C25H30FNO3 — CID 142205899

IUPAC(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H]2CC(O)CC(=O)O2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H30FNO3/c1-14(2)24-16(5)23(17-6-8-18(26)9-7-17)21(25(27-24)15(3)4)11-10-20-12-19(28)13-22(29)30-20/h6-11,14-15,19-20,28H,12-13H2,1-5H3/b11-10+/t19?,20-/m1/s1
InChIKeyQHZNTCMWQBDDLL-FQUJLXTPSA-N
MW411.52 g/mol
LogP5.52
Rot. Bonds5

About (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 142205899) has the molecular formula C25H30FNO3 and a molecular weight of 411.52 g/mol. Its IUPAC name is (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID142205899
Molecular FormulaC25H30FNO3
Molecular Weight411.52 g/mol
Exact Mass411.22
IUPAC Name(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H]2CC(O)CC(=O)O2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H30FNO3/c1-14(2)24-16(5)23(17-6-8-18(26)9-7-17)21(25(27-24)15(3)4)11-10-20-12-19(28)13-22(29)30-20/h6-11,14-15,19-20,28H,12-13H2,1-5H3/b11-10+/t19?,20-/m1/s1
InChIKeyQHZNTCMWQBDDLL-FQUJLXTPSA-N
XLogP5.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-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

6-[(E)-2-[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14461255
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14229355
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 11561346
5-(4-fluorophenyl)-6-[(E)-2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-7-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 67868609
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
CID 73348335
1-ethyl-5-(4-fluorophenyl)-6-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-3-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 67837526
(4R,6S)-6-[(E)-2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 70363237
1-benzyl-5-(4-fluorophenyl)-6-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-7-propan-2-yl-1,8-naphthyridin-2-one
CID 67869276
N-[4-(4-fluorophenyl)-5-[2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-6-propan-2-ylpyrimidin-2-yl]methanesulfonamide
CID 78017556
(4R,6S)-6-[2-[6-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 57016109
N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-(trideuterio(113C)methyl)methanesulfonamide
CID 76973127
6-[2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 70414341

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (CID 142205899) is (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is Cc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H]2CC(O)CC(=O)O2)c1-c1ccc(F)cc1.
What is the InChIKey of (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is QHZNTCMWQBDDLL-FQUJLXTPSA-N. The full InChI is InChI=1S/C25H30FNO3/c1-14(2)24-16(5)23(17-6-8-18(26)9-7-17)21(25(27-24)15(3)4)11-10-20-12-19(28)13-22(29)30-20/h6-11,14-15,19-20,28H,12-13H2,1-5H3/b11-10+/t19?,20-/m1/s1.
What are the key properties of (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 411.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 142205899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).