N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 693152
• Molecular Formular: C18H17N3O3
• Molecular Mass: 323.34588
• Monoisotopic Mass: 323.12699142
• SMILES: c12n(c(cn1)CC(=O)NCc1cc3c(OCO3)cc1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C18H17N3O3/c1-12-3-2-6-21-14(10-20-18(12)21)8-17(22)19-9-13-4-5-15-16(7-13)24-11-23-15/h2-7,10H,8-9,11H2,1H3,(H,19,22)
• InChIKey: LAVNWJYGHYUZQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.928978
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8008528
• LogD (pH = 7.4): 1.5438552
• Log P: 1.5951602
• Molar Refractivity: 89.2611 cm^3
• Polarizability: 33.84472 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.85
• LOG S: -3.13
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4