N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,3,4-trimethoxybenzamide

• ChemBase ID: 418179
• Molecular Formular: C17H21N3O4
• Molecular Mass: 331.36634
• Monoisotopic Mass: 331.15320617
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H21N3O4/c1-22-12-8-7-11(15(23-2)16(12)24-3)17(21)19-14-10-18-13-6-4-5-9-20(13)14/h7-8,10H,4-6,9H2,1-3H3,(H,19,21)
• InChIKey: XTTHYDXUWOIMOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,3,4-trimethoxybenzamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,3,4-trimethoxybenzamide
• Synonyms: 2,3,4-trimethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.452512
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9171359
• LogD (pH = 7.4): 1.5527217
• Log P: 1.5812502
• Molar Refractivity: 90.0229 cm^3
• Polarizability: 33.833603 Å^3
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.45
• LOG S: -2.85
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 5