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

• ChemBase ID: 771170
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(Nc1ccc(cc1)OC)(C)C
• Canonical SMILES: COc1ccc(cc1)NC(C(=O)Nc1cnc2n1CCCC2)(C)C
• InChI: InChI=1S/C18H24N4O2/c1-18(2,21-13-7-9-14(24-3)10-8-13)17(23)20-16-12-19-15-6-4-5-11-22(15)16/h7-10,12,21H,4-6,11H2,1-3H3,(H,20,23)
• InChIKey: UZCRERLKOLXDSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.273449
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5169474
• LogD (pH = 7.4): 2.1618958
• Log P: 2.1913013
• Molar Refractivity: 95.3259 cm^3
• Polarizability: 35.442562 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.86
• LOG S: -3.18
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5