methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate

C28H29N3O3 — CID 159516626

IUPACmethyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-n3cnc(C)c3)c(C)c2)c(=O)n(C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C28H29N3O3/c1-18-6-9-23(10-7-18)21(4)31-16-25(28(33)34-5)14-24(27(31)32)13-22-8-11-26(19(2)12-22)30-15-20(3)29-17-30/h6-12,14-17,21H,13H2,1-5H3
InChIKeyFRTWWUVDCOPJSQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.95
Rot. Bonds6

About methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate

methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate (PubChem CID 159516626) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
PubChem CID159516626
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Namemethyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-n3cnc(C)c3)c(C)c2)c(=O)n(C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C28H29N3O3/c1-18-6-9-23(10-7-18)21(4)31-16-25(28(33)34-5)14-24(27(31)32)13-22-8-11-26(19(2)12-22)30-15-20(3)29-17-30/h6-12,14-17,21H,13H2,1-5H3
InChIKeyFRTWWUVDCOPJSQ-UHFFFAOYSA-N
XLogP4.95
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
5-cyclopropyl-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-one
CID 159585879
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
2-[1-(4-fluorophenyl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58218038
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
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
1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 148842493
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
5-chloro-1-[(1S)-1-(4-iodophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70269836
5-chloro-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 70271783
1-[1-(4-fluorophenyl)ethyl]-3-[(E)-N-hydroxy-C-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]carbonimidoyl]pyridin-2-one
CID 58217988
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate (CID 159516626) is methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Cc2ccc(-n3cnc(C)c3)c(C)c2)c(=O)n(C(C)c2ccc(C)cc2)c1.
What is the InChIKey of methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is FRTWWUVDCOPJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-6-9-23(10-7-18)21(4)31-16-25(28(33)34-5)14-24(27(31)32)13-22-8-11-26(19(2)12-22)30-15-20(3)29-17-30/h6-12,14-17,21H,13H2,1-5H3.
What are the key properties of methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate?
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 159516626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).