4-[({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)amino]-1-phenylpyrrolidin-2-one

• ChemBase ID: 368362
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: n12c(nc(c1)CNC1CC(=O)N(C1)c1ccccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNC1CC(=O)N(C1)c1ccccc1
• InChI: InChI=1S/C19H20N4O/c1-14-7-8-18-21-16(12-22(18)11-14)10-20-15-9-19(24)23(13-15)17-5-3-2-4-6-17/h2-8,11-12,15,20H,9-10,13H2,1H3
• InChIKey: TZYHKOSTRKYLRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)amino]-1-phenylpyrrolidin-2-one
• IUPAC Traditional name: 4-[({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)amino]-1-phenylpyrrolidin-2-one
• Synonyms: 4-{[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino}-1-phenyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.941542
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1849188
• LogD (pH = 7.4): 1.4358603
• Log P: 1.8143977
• Molar Refractivity: 93.5818 cm^3
• Polarizability: 35.84405 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.23
• LOG S: -3.44
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4