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

• ChemBase ID: 438292
• Molecular Formular: C22H19FN4O
• Molecular Mass: 374.4108632
• Monoisotopic Mass: 374.15428947
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCCc1ncccc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCCCc1ccccn1
• InChI: InChI=1S/C22H19FN4O/c23-18-9-6-16(7-10-18)20-15-27-14-17(8-11-21(27)26-20)22(28)25-13-3-5-19-4-1-2-12-24-19/h1-2,4,6-12,14-15H,3,5,13H2,(H,25,28)
• InChIKey: MCVJNGSBYPSMBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.244022
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8840919
• LogD (pH = 7.4): 3.119876
• Log P: 3.12359
• Molar Refractivity: 106.28 cm^3
• Polarizability: 40.9356 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -3.12
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6