N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxy-3-(methoxymethyl)benzamide

• ChemBase ID: 523780
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(c(cc1)OC)COC
• Canonical SMILES: COCc1cc(ccc1OC)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H21N3O3/c1-22-11-13-9-12(6-7-14(13)23-2)17(21)19-16-10-18-15-5-3-4-8-20(15)16/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,21)
• InChIKey: GOILQAXFXZBMRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.547825
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1064794
• LogD (pH = 7.4): 1.7436731
• Log P: 1.7723695
• Molar Refractivity: 88.6636 cm^3
• Polarizability: 33.134174 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.66
• LOG S: -2.92
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5