N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 657179
• Molecular Formular: C15H16N6O
• Molecular Mass: 296.32714
• Monoisotopic Mass: 296.13855916
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc2c(n(cn2)C)nc1
• Canonical SMILES: O=C(c1cnc2c(c1)ncn2C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H16N6O/c1-20-9-18-11-6-10(7-17-14(11)20)15(22)19-13-8-16-12-4-2-3-5-21(12)13/h6-9H,2-5H2,1H3,(H,19,22)
• InChIKey: WPHSYXMTUFRBAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methylimidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.591623
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.048712634
• LogD (pH = 7.4): 0.68537986
• Log P: 0.7139879
• Molar Refractivity: 82.2362 cm^3
• Polarizability: 30.777216 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.84
• LOG S: -2.08
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 2