3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]propanamide

• ChemBase ID: 521347
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: n12c(nc(c1)CCC(=O)NCCc1cc(OC)ccc1)cccc2
• Canonical SMILES: COc1cccc(c1)CCNC(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H21N3O2/c1-24-17-6-4-5-15(13-17)10-11-20-19(23)9-8-16-14-22-12-3-2-7-18(22)21-16/h2-7,12-14H,8-11H2,1H3,(H,20,23)
• InChIKey: GEYTVQFGOVDGLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[2-(3-methoxyphenyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.570808
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2486001
• LogD (pH = 7.4): 1.9606068
• Log P: 1.9879788
• Molar Refractivity: 93.9709 cm^3
• Polarizability: 35.810062 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.51
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7