5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one

C26H25ClFN3O2 — CID 160678101

IUPAC5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
SMILESCc1ccc([C@H](CO)n2cc(Cl)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)c(F)c1
InChIInChI=1S/C26H25ClFN3O2/c1-16-4-6-22(23(28)8-16)25(14-32)31-13-21(27)11-20(26(31)33)10-19-5-7-24(17(2)9-19)30-12-18(3)29-15-30/h4-9,11-13,15,25,32H,10,14H2,1-3H3/t25-/m0/s1
InChIKeyAYXSAUSHAMYKIU-VWLOTQADSA-N
MW465.96 g/mol
LogP4.92
Rot. Bonds6

About 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one

5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one (PubChem CID 160678101) has the molecular formula C26H25ClFN3O2 and a molecular weight of 465.96 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
PubChem CID160678101
Molecular FormulaC26H25ClFN3O2
Molecular Weight465.96 g/mol
Exact Mass465.16
IUPAC Name5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
SMILESCc1ccc([C@H](CO)n2cc(Cl)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)c(F)c1
InChIInChI=1S/C26H25ClFN3O2/c1-16-4-6-22(23(28)8-16)25(14-32)31-13-21(27)11-20(26(31)33)10-19-5-7-24(17(2)9-19)30-12-18(3)29-15-30/h4-9,11-13,15,25,32H,10,14H2,1-3H3/t25-/m0/s1
InChIKeyAYXSAUSHAMYKIU-VWLOTQADSA-N
XLogP4.92
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-1-[(1R)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160674655
1-[(1R)-2-hydroxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carbonitrile
CID 58218023
6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58217721
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
2-[2-[5-chloro-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2-oxo-1-pyridinyl]-2-(3,4,5-trifluorophenyl)ethoxy]isoindole-1,3-dione
CID 161044372
5-cyclopropyl-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-one
CID 159585879
5-chloro-1-[3-hydroxy-1-(3,4,5-trifluorophenyl)propyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;2-[3-[5-chloro-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2-oxo-1-pyridinyl]-3-(3,4,5-trifluorophenyl)propoxy]isoindole-1,3-dione
CID 158577400
1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 148842493
N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 159516627
2-[1-(4-fluorophenyl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58218038
6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58217935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one (CID 160678101) is 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one is Cc1ccc([C@H](CO)n2cc(Cl)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)c(F)c1.
What is the InChIKey of 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one?
The InChIKey is AYXSAUSHAMYKIU-VWLOTQADSA-N. The full InChI is InChI=1S/C26H25ClFN3O2/c1-16-4-6-22(23(28)8-16)25(14-32)31-13-21(27)11-20(26(31)33)10-19-5-7-24(17(2)9-19)30-12-18(3)29-15-30/h4-9,11-13,15,25,32H,10,14H2,1-3H3/t25-/m0/s1.
What are the key properties of 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one?
5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one has a molecular weight of 465.96 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 160678101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).