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

• ChemBase ID: 612582
• Molecular Formular: C20H16FN5O2
• Molecular Mass: 377.3717432
• Monoisotopic Mass: 377.128803
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCc1nc(on1)C1CC1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCc1noc(n1)C1CC1
• InChI: InChI=1S/C20H16FN5O2/c21-15-6-3-12(4-7-15)16-11-26-10-14(5-8-18(26)23-16)19(27)22-9-17-24-20(28-25-17)13-1-2-13/h3-8,10-11,13H,1-2,9H2,(H,22,27)
• InChIKey: VOTOUCVRWUIHPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.823814
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8924968
• LogD (pH = 7.4): 3.08256
• Log P: 3.085647
• Molar Refractivity: 101.4714 cm^3
• Polarizability: 38.01328 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.46
• LOG S: -3.2
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5