(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

C28H28FNO4 — CID 57012652

IUPAC(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(C(C)C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C28H28FNO4/c1-17(2)28-24(13-12-23-14-21(31)15-27(32)34-23)25(18-6-10-22(33-3)11-7-18)16-26(30-28)19-4-8-20(29)9-5-19/h4-13,16-17,21,23,31H,14-15H2,1-3H3/t21-,23-/m1/s1
InChIKeyGMOHUUIZMZZUOV-FYYLOGMGSA-N
MW461.53 g/mol
LogP5.77
Rot. Bonds6

About (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 57012652) has the molecular formula C28H28FNO4 and a molecular weight of 461.53 g/mol. Its IUPAC name is (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID57012652
Molecular FormulaC28H28FNO4
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(C(C)C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C28H28FNO4/c1-17(2)28-24(13-12-23-14-21(31)15-27(32)34-23)25(18-6-10-22(33-3)11-7-18)16-26(30-28)19-4-8-20(29)9-5-19/h4-13,16-17,21,23,31H,14-15H2,1-3H3/t21-,23-/m1/s1
InChIKeyGMOHUUIZMZZUOV-FYYLOGMGSA-N
XLogP5.77
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one with MolForge

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Related Compounds

Glenvastatin
CID 5281970
2-[(1S)-5-{3-[4-(6-methylpyridin-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110443
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10046878
6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
2-Methyl-6-(6-phenyl-4-p-tolyl-pyridin-2-yloxy)-hexanoic acid
CID 10091738
8-(4,6-Diphenyl-pyridin-2-yloxy)-2,2-dimethyl-octanoic acid
CID 10319829
6-[6-(3-Methoxy-phenyl)-4-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10340408
7-(4,6-Diphenyl-pyridin-2-yloxy)-2,2-dimethyl-heptanoic acid
CID 10341135
6-[4-(3-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10341242

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (CID 57012652) is (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is COc1ccc(-c2cc(-c3ccc(F)cc3)nc(C(C)C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1.
What is the InChIKey of (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is GMOHUUIZMZZUOV-FYYLOGMGSA-N. The full InChI is InChI=1S/C28H28FNO4/c1-17(2)28-24(13-12-23-14-21(31)15-27(32)34-23)25(18-6-10-22(33-3)11-7-18)16-26(30-28)19-4-8-20(29)9-5-19/h4-13,16-17,21,23,31H,14-15H2,1-3H3/t21-,23-/m1/s1.
What are the key properties of (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 461.53 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 57012652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).