2-phenyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 736927
• Molecular Formular: C17H15N7O
• Molecular Mass: 333.3473
• Monoisotopic Mass: 333.13380814
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC(c1nnn[nH]1)C
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NC(c1nnn[nH]1)C
• InChI: InChI=1S/C17H15N7O/c1-11(16-20-22-23-21-16)18-17(25)13-7-8-15-19-14(10-24(15)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,25)(H,20,21,22,23)
• InChIKey: ALLRRTKMOPTKDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-phenyl-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-phenyl-N-[1-(1H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.6373177
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.2057173
• LogD (pH = 7.4): -0.1155494
• Log P: 0.42678216
• Molar Refractivity: 95.3698 cm^3
• Polarizability: 35.408627 Å^3
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.22
• LOG S: -2.67
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 4