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

• ChemBase ID: 510557
• Molecular Formular: C17H20N6O
• Molecular Mass: 324.3803
• Monoisotopic Mass: 324.16985929
• SMILES: n1(c(nc2c1nccc2)CCC(=O)Nc1n2c(nc1)CCCC2)C
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCc1nc2c(n1C)nccc2
• InChI: InChI=1S/C17H20N6O/c1-22-14(20-12-5-4-9-18-17(12)22)7-8-16(24)21-15-11-19-13-6-2-3-10-23(13)15/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,21,24)
• InChIKey: QRLHPEFHWVWOPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.821907
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3226799
• LogD (pH = 7.4): 0.97367376
• Log P: 1.0043324
• Molar Refractivity: 90.314 cm^3
• Polarizability: 34.46962 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.99
• LOG S: -2.41
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 4