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

• ChemBase ID: 776143
• Molecular Formular: C16H16N6O
• Molecular Mass: 308.33784
• Monoisotopic Mass: 308.13855916
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(n2ncnc2)cccc1
• Canonical SMILES: O=C(c1ccccc1n1cncn1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H16N6O/c23-16(20-15-9-18-14-7-3-4-8-21(14)15)12-5-1-2-6-13(12)22-11-17-10-19-22/h1-2,5-6,9-11H,3-4,7-8H2,(H,20,23)
• InChIKey: PHZAAJJBFJGIAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.675791
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7888428
• LogD (pH = 7.4): 1.42502
• Log P: 1.4535629
• Molar Refractivity: 88.1691 cm^3
• Polarizability: 32.437737 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.92
• LOG S: -2.23
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 3