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

• ChemBase ID: 774683
• Molecular Formular: C15H15N7O
• Molecular Mass: 309.3259
• Monoisotopic Mass: 309.13380814
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(n2nnnc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)n1cnnn1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H15N7O/c23-15(18-14-9-16-13-3-1-2-8-21(13)14)11-4-6-12(7-5-11)22-10-17-19-20-22/h4-7,9-10H,1-3,8H2,(H,18,23)
• InChIKey: BKXQRJIKAVGBDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986949
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4257553
• LogD (pH = 7.4): 1.0629894
• Log P: 1.0916884
• Molar Refractivity: 87.5682 cm^3
• Polarizability: 31.58854 Å^3
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.68
• LOG S: -2.04
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 3