2-methyl-N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 600533
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCCN1CC(c2c(C)cccc2)CC1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCCN1CCC(C1)c1ccccc1C
• InChI: InChI=1S/C22H26N4O/c1-16-5-3-4-6-20(16)18-9-11-25(14-18)12-10-23-22(27)19-7-8-21-24-17(2)13-26(21)15-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,27)
• InChIKey: HJDHTQIPOIOTGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-methyl-N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-methyl-N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.2619295
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0202303
• LogD (pH = 7.4): 1.3085446
• Log P: 2.4018762
• Molar Refractivity: 109.6709 cm^3
• Polarizability: 41.018085 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.62
• LOG S: -4.08
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5