N-benzyl-3-{[3-(methoxymethyl)piperidin-1-yl]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 702939
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: c1(c(n2c(n1)cccc2)CN1CC(COC)CCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: COCC1CCCN(C1)Cc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C24H30N4O2/c1-26(15-19-9-4-3-5-10-19)24(29)23-21(28-14-7-6-12-22(28)25-23)17-27-13-8-11-20(16-27)18-30-2/h3-7,9-10,12,14,20H,8,11,13,15-18H2,1-2H3
• InChIKey: CXOFCHQFQCOMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-{[3-(methoxymethyl)piperidin-1-yl]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-3-{[3-(methoxymethyl)piperidin-1-yl]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-3-{[3-(methoxymethyl)-1-piperidinyl]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.11386433
• LogD (pH = 7.4): 1.6601957
• Log P: 2.4926066
• Molar Refractivity: 120.6637 cm^3
• Polarizability: 45.62226 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.34
• LOG S: -3.22
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6