N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methoxy-3-methyl-1H-indole-2-carboxamide

• ChemBase ID: 332350
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1([nH]c2c(c1C)cc(cc2)OC)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: COc1ccc2c(c1)c(C)c([nH]2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H20N4O2/c1-11-13-9-12(24-2)6-7-14(13)20-17(11)18(23)21-16-10-19-15-5-3-4-8-22(15)16/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,21,23)
• InChIKey: VXEBZMFYCLTADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methoxy-3-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methoxy-3-methyl-1H-indole-2-carboxamide
• Synonyms: 5-methoxy-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.336153
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7710924
• LogD (pH = 7.4): 2.4010634
• Log P: 2.4287772
• Molar Refractivity: 93.1017 cm^3
• Polarizability: 35.722027 Å^3
• Polar Surface Area: 71.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.74
• LOG S: -3.05
• Polar Surface Area: 71.94 Å^2
• Rotatable Bonds: 3