3-amino-3-(3,4-dimethoxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}propanamide

• ChemBase ID: 736302
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC(c1cc(c(cc1)OC)OC)N
• Canonical SMILES: COc1cc(ccc1OC)C(CC(=O)Nc1cnc2n1CCCC2)N
• InChI: InChI=1S/C18H24N4O3/c1-24-14-7-6-12(9-15(14)25-2)13(19)10-18(23)21-17-11-20-16-5-3-4-8-22(16)17/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3,(H,21,23)
• InChIKey: LOOVASAXMCTPDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-(3,4-dimethoxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}propanamide
• IUPAC Traditional name: 3-amino-3-(3,4-dimethoxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}propanamide
• Synonyms: 3-amino-3-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.782777
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4609852
• LogD (pH = 7.4): -0.26380983
• Log P: 0.9818701
• Molar Refractivity: 95.2311 cm^3
• Polarizability: 36.51294 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.34
• LOG S: -3.31
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6