N-benzyl-N-methyl-3-({[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 368532
• Molecular Formular: C23H26N6O
• Molecular Mass: 402.49214
• Monoisotopic Mass: 402.21680948
• SMILES: c1(nc2n(c1CNCCc1cn(nc1)C)cccc2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: Cn1ncc(c1)CCNCc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C23H26N6O/c1-27(16-18-8-4-3-5-9-18)23(30)22-20(29-13-7-6-10-21(29)26-22)15-24-12-11-19-14-25-28(2)17-19/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3
• InChIKey: LNTOXGVKCJXKLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-({[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-({[2-(1-methylpyrazol-4-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-({[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8201193
• LogD (pH = 7.4): 0.79387033
• Log P: 2.0872097
• Molar Refractivity: 130.4453 cm^3
• Polarizability: 44.53494 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.55
• LOG S: -4.57
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 8