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

• ChemBase ID: 659690
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCCn1nncc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCCCn1nncc1
• InChI: InChI=1S/C19H17FN6O/c20-16-5-2-14(3-6-16)17-13-25-12-15(4-7-18(25)23-17)19(27)21-8-1-10-26-11-9-22-24-26/h2-7,9,11-13H,1,8,10H2,(H,21,27)
• InChIKey: AAKVAGQJWXNJLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243367
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7261868
• LogD (pH = 7.4): 1.9152267
• Log P: 1.9183083
• Molar Refractivity: 111.1069 cm^3
• Polarizability: 37.778988 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -3.32
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 6