(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

C25H22FNO3 — CID 57119414

IUPAC(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C25H22FNO3/c1-16-13-23(17-5-3-2-4-6-17)27-25(18-7-9-19(26)10-8-18)22(16)12-11-21-14-20(28)15-24(29)30-21/h2-13,20-21,28H,14-15H2,1H3/t20-,21-/m1/s1
InChIKeyFEUNNRADOXQKPR-NHCUHLMSSA-N
MW403.45 g/mol
LogP4.94
Rot. Bonds4

About (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 57119414) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID57119414
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Name(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C25H22FNO3/c1-16-13-23(17-5-3-2-4-6-17)27-25(18-7-9-19(26)10-8-18)22(16)12-11-21-14-20(28)15-24(29)30-21/h2-13,20-21,28H,14-15H2,1H3/t20-,21-/m1/s1
InChIKeyFEUNNRADOXQKPR-NHCUHLMSSA-N
XLogP4.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (CID 57119414) is (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is Cc1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C[C@@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is FEUNNRADOXQKPR-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-16-13-23(17-5-3-2-4-6-17)27-25(18-7-9-19(26)10-8-18)22(16)12-11-21-14-20(28)15-24(29)30-21/h2-13,20-21,28H,14-15H2,1H3/t20-,21-/m1/s1.
What are the key properties of (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 403.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 57119414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).