N-{imidazo[1,2-a]pyridin-3-ylmethyl}-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

• ChemBase ID: 526173
• Molecular Formular: C25H25N3O2
• Molecular Mass: 399.4849
• Monoisotopic Mass: 399.19467706
• SMILES: c1(n2c(nc1)cccc2)CN(C(=O)CC(c1ccc(cc1)OC)c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C25H25N3O2/c1-27(18-21-17-26-24-10-6-7-15-28(21)24)25(29)16-23(19-8-4-3-5-9-19)20-11-13-22(30-2)14-12-20/h3-15,17,23H,16,18H2,1-2H3
• InChIKey: YYMGTIUFOHFDFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7511132
• LogD (pH = 7.4): 3.3643017
• Log P: 3.3899019
• Molar Refractivity: 119.0575 cm^3
• Polarizability: 45.4146 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.48
• LOG S: -4.86
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6