N-[2-(oxan-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 739604
• Molecular Formular: C21H23N3O2
• Molecular Mass: 349.42622
• Monoisotopic Mass: 349.17902699
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCC1OCCCC1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCCC1CCCCO1
• InChI: InChI=1S/C21H23N3O2/c25-21(22-12-11-18-8-4-5-13-26-18)17-9-10-20-23-19(15-24(20)14-17)16-6-2-1-3-7-16/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13H2,(H,22,25)
• InChIKey: MSJFVYNBVGUFCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxan-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(oxan-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-phenyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242686
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5988157
• LogD (pH = 7.4): 2.786995
• Log P: 2.7900589
• Molar Refractivity: 102.3968 cm^3
• Polarizability: 39.93512 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.78
• LOG S: -4.12
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5