N-(oxolan-2-ylmethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 386332
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCC1OCCC1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCC1CCCO1
• InChI: InChI=1S/C19H19N3O2/c23-19(20-11-16-7-4-10-24-16)15-8-9-18-21-17(13-22(18)12-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,12-13,16H,4,7,10-11H2,(H,20,23)
• InChIKey: UIOZPBBGYIKSDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-phenyl-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.208194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0945997
• LogD (pH = 7.4): 2.2824728
• Log P: 2.2855306
• Molar Refractivity: 92.9304 cm^3
• Polarizability: 36.246162 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.86
• LOG S: -3.13
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4