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

• ChemBase ID: 623931
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC(c1nc([nH]n1)C)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NC(c1n[nH]c(n1)C)C
• InChI: InChI=1S/C19H17FN6O/c1-11(18-22-12(2)24-25-18)21-19(27)14-5-8-17-23-16(10-26(17)9-14)13-3-6-15(20)7-4-13/h3-11H,1-2H3,(H,21,27)(H,22,24,25)
• InChIKey: GFGXPEQZLSWRCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.027134
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5457253
• LogD (pH = 7.4): 2.7259533
• Log P: 2.7388785
• Molar Refractivity: 100.8115 cm^3
• Polarizability: 37.694935 Å^3
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.58
• LOG S: -3.21
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 4