1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

C32H26F2N2O4 — CID 102596185

IUPAC1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1ccc(C(c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C32H26F2N2O4/c1-18-4-6-21(7-5-18)28(29-26(37)16-19(2)35(31(29)39)24-12-8-22(33)9-13-24)30-27(38)17-20(3)36(32(30)40)25-14-10-23(34)11-15-25/h4-17,28,37-38H,1-3H3
InChIKeyMFXBWEIHDZJQHU-UHFFFAOYSA-N
MW540.57 g/mol
LogP5.78
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 102596185) has the molecular formula C32H26F2N2O4 and a molecular weight of 540.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID102596185
Molecular FormulaC32H26F2N2O4
Molecular Weight540.57 g/mol
Exact Mass540.19
IUPAC Name1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1ccc(C(c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C32H26F2N2O4/c1-18-4-6-21(7-5-18)28(29-26(37)16-19(2)35(31(29)39)24-12-8-22(33)9-13-24)30-27(38)17-20(3)36(32(30)40)25-14-10-23(34)11-15-25/h4-17,28,37-38H,1-3H3
InChIKeyMFXBWEIHDZJQHU-UHFFFAOYSA-N
XLogP5.78
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
5-chloro-1-(4-fluorophenyl)-4-hydroxy-6-isopropyl-3-phenyl-2(1H)-pyridinone
CID 54679809
N-(2-Fluorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3255523
N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 3855331
N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3868490
6-(4-fluorophenyl)-4-hydroxy-1,3-diphenyl-2(1H)-pyridinone
CID 54683836
7-Methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione
CID 155931895
1,6-Bis(4-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
CID 155931998
1,6-Bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
CID 155931999
5-Ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54686582
4-(2-fluorophenyl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 358531
4-(4-Ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2900847

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 102596185) is 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1ccc(C(c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)c2c(O)cc(C)n(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is MFXBWEIHDZJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N2O4/c1-18-4-6-21(7-5-18)28(29-26(37)16-19(2)35(31(29)39)24-12-8-22(33)9-13-24)30-27(38)17-20(3)36(32(30)40)25-14-10-23(34)11-15-25/h4-17,28,37-38H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 540.57 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 102596185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).