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

• ChemBase ID: 534756
• Molecular Formular: C17H14FN7O
• Molecular Mass: 351.3377632
• Monoisotopic Mass: 351.12438632
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC(c1nnn[nH]1)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NC(c1nnn[nH]1)C
• InChI: InChI=1S/C17H14FN7O/c1-10(16-21-23-24-22-16)19-17(26)12-4-7-15-20-14(9-25(15)8-12)11-2-5-13(18)6-3-11/h2-10H,1H3,(H,19,26)(H,21,22,23,24)
• InChIKey: KBQZINFYOBWKQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.6391516
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.34818518
• LogD (pH = 7.4): 0.027149457
• Log P: 0.56879795
• Molar Refractivity: 95.5862 cm^3
• Polarizability: 35.0985 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: 1.15
• LOG S: -2.74
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 4