N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 448769
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCC(COc1cc(OC)ccc1)O
• Canonical SMILES: COc1cccc(c1)OCC(CNC(=O)Cc1c(C)nc2n1cccc2)O
• InChI: InChI=1S/C20H23N3O4/c1-14-18(23-9-4-3-8-19(23)22-14)11-20(25)21-12-15(24)13-27-17-7-5-6-16(10-17)26-2/h3-10,15,24H,11-13H2,1-2H3,(H,21,25)
• InChIKey: XDJWBWPVLGJFIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.037447
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 8.739981E-4
• LogD (pH = 7.4): 0.69564724
• Log P: 0.72144586
• Molar Refractivity: 101.4098 cm^3
• Polarizability: 38.8889 Å^3
• Polar Surface Area: 85.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.55
• LOG S: -3.22
• Polar Surface Area: 85.09 Å^2
• Rotatable Bonds: 8