N-benzyl-N-methyl-3-{[methyl(quinoxalin-6-ylmethyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 330076
• Molecular Formular: C27H26N6O
• Molecular Mass: 450.53494
• Monoisotopic Mass: 450.21680948
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1cc2nccnc2cc1)C)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)nccn2
• InChI: InChI=1S/C27H26N6O/c1-31(17-21-11-12-22-23(16-21)29-14-13-28-22)19-24-26(30-25-10-6-7-15-33(24)25)27(34)32(2)18-20-8-4-3-5-9-20/h3-16H,17-19H2,1-2H3
• InChIKey: NNSGEABQIUXFSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-{[methyl(quinoxalin-6-ylmethyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-{[methyl(quinoxalin-6-ylmethyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-{[methyl(6-quinoxalinylmethyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1145084
• LogD (pH = 7.4): 2.7407372
• Log P: 3.0795689
• Molar Refractivity: 133.474 cm^3
• Polarizability: 51.799538 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.94
• LOG S: -3.51
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 7