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

• ChemBase ID: 599208
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCc1nnc([nH]1)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCCc1nnc([nH]1)C
• InChI: InChI=1S/C19H17FN6O/c1-12-22-17(25-24-12)8-9-21-19(27)14-4-7-18-23-16(11-26(18)10-14)13-2-5-15(20)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,21,27)(H,22,24,25)
• InChIKey: INBFLNAWWBTSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.656258
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.89530116
• LogD (pH = 7.4): 1.0849615
• Log P: 1.0884387
• Molar Refractivity: 101.1428 cm^3
• Polarizability: 37.70664 Å^3
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.41
• LOG S: -3.06
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 5