5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one

C64H52F8N6O4 — CID 159539860

IUPAC5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one
SMILESCCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(=O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O.CCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O
InChIInChI=1S/C32H27F4N3O2.C32H25F4N3O2/c2*1-4-28(22-13-26(34)30(36)27(35)14-22)39-16-23(20-5-8-24(33)9-6-20)12-25(32(39)41)31(40)21-7-10-29(18(2)11-21)38-15-19(3)37-17-38/h5-17,28,31,40H,4H2,1-3H3;5-17,28H,4H2,1-3H3
InChIKeyMEBDYGINAVCAFN-UHFFFAOYSA-N
MW1121.14 g/mol
LogP14.06
Rot. Bonds14

About 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one

5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one (PubChem CID 159539860) has the molecular formula C64H52F8N6O4 and a molecular weight of 1121.14 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one
PubChem CID159539860
Molecular FormulaC64H52F8N6O4
Molecular Weight1121.14 g/mol
Exact Mass1120.39
IUPAC Name5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one
SMILESCCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(=O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O.CCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O
InChIInChI=1S/C32H27F4N3O2.C32H25F4N3O2/c2*1-4-28(22-13-26(34)30(36)27(35)14-22)39-16-23(20-5-8-24(33)9-6-20)12-25(32(39)41)31(40)21-7-10-29(18(2)11-21)38-15-19(3)37-17-38/h5-17,28,31,40H,4H2,1-3H3;5-17,28H,4H2,1-3H3
InChIKeyMEBDYGINAVCAFN-UHFFFAOYSA-N
XLogP14.06
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.14
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one (CID 159539860) is 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one is CCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(=O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O.CCC(c1cc(F)c(F)c(F)c1)n1cc(-c2ccc(F)cc2)cc(C(O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one?
The InChIKey is MEBDYGINAVCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F4N3O2.C32H25F4N3O2/c2*1-4-28(22-13-26(34)30(36)27(35)14-22)39-16-23(20-5-8-24(33)9-6-20)12-25(32(39)41)31(40)21-7-10-29(18(2)11-21)38-15-19(3)37-17-38/h5-17,28,31,40H,4H2,1-3H3;5-17,28H,4H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one?
5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one has a molecular weight of 1121.14 g/mol, XLogP of 14.06, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one;5-(4-fluorophenyl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one is sourced from PubChem (CID 159539860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).