1-[2-(2-chlorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(methoxymethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 623158
• Molecular Formular: C25H25ClN4O3
• Molecular Mass: 464.944
• Monoisotopic Mass: 464.16151836
• SMILES: c1(c(n(c(cc1=O)C)CCc1c(Cl)cccc1)COC)C(=O)NCc1nc2n(c1)cccc2
• Canonical SMILES: COCc1n(CCc2ccccc2Cl)c(C)cc(=O)c1C(=O)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C25H25ClN4O3/c1-17-13-22(31)24(25(32)27-14-19-15-29-11-6-5-9-23(29)28-19)21(16-33-2)30(17)12-10-18-7-3-4-8-20(18)26/h3-9,11,13,15H,10,12,14,16H2,1-2H3,(H,27,32)
• InChIKey: ZWXAKXURVGHKAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-chlorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(methoxymethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1-[2-(2-chlorophenyl)ethyl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carboxamide
• Synonyms: 1-[2-(2-chlorophenyl)ethyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.849625
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3348427
• LogD (pH = 7.4): 2.8564684
• Log P: 2.8705657
• Molar Refractivity: 131.7786 cm^3
• Polarizability: 48.673393 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.14
• LOG S: -5.82
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 7