N-{1-oxaspiro[4.4]nonan-3-yl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 416239
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC1CC2(OC1)CCCC2
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NC1COC2(C1)CCCC2
• InChI: InChI=1S/C22H23N3O2/c26-21(23-18-12-22(27-15-18)10-4-5-11-22)17-8-9-20-24-19(14-25(20)13-17)16-6-2-1-3-7-16/h1-3,6-9,13-14,18H,4-5,10-12,15H2,(H,23,26)
• InChIKey: ZZDNNWOVXLZYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-1-oxaspiro[4.4]non-3-yl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3101635
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8561757
• LogD (pH = 7.4): 3.04359
• Log P: 3.0466385
• Molar Refractivity: 104.5886 cm^3
• Polarizability: 41.045414 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.14
• LOG S: -4.52
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3