3-{imidazo[1,2-a]pyridin-2-yl}-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)propanamide

• ChemBase ID: 711458
• Molecular Formular: C26H34N4O
• Molecular Mass: 418.57436
• Monoisotopic Mass: 418.27326173
• SMILES: n12c(nc(c1)CCC(=O)N(CC1CN(CCc3c(C)cccc3)CCC1)C)cccc2
• Canonical SMILES: CN(C(=O)CCc1nc2n(c1)cccc2)CC1CCCN(C1)CCc1ccccc1C
• InChI: InChI=1S/C26H34N4O/c1-21-8-3-4-10-23(21)14-17-29-15-7-9-22(19-29)18-28(2)26(31)13-12-24-20-30-16-6-5-11-25(30)27-24/h3-6,8,10-11,16,20,22H,7,9,12-15,17-19H2,1-2H3
• InChIKey: DMDXXPJDAUNFJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.67270464
• LogD (pH = 7.4): 1.4277308
• Log P: 3.4117112
• Molar Refractivity: 127.6159 cm^3
• Polarizability: 48.691185 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.18
• LOG S: -4.92
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 8