6-(2,6-dimethoxyphenyl)-2-ethyl-3H-imidazo[4,5-b]pyridine

• ChemBase ID: 864982
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: [nH]1c2c(nc1CC)cc(c1c(OC)cccc1OC)cn2
• Canonical SMILES: CCc1[nH]c2c(n1)cc(cn2)c1c(OC)cccc1OC
• InChI: InChI=1S/C16H17N3O2/c1-4-14-18-11-8-10(9-17-16(11)19-14)15-12(20-2)6-5-7-13(15)21-3/h5-9H,4H2,1-3H3,(H,17,18,19)
• InChIKey: UVKATBQJDMNSHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethoxyphenyl)-2-ethyl-3H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 6-(2,6-dimethoxyphenyl)-2-ethyl-3H-imidazo[4,5-b]pyridine
• Synonyms: 6-(2,6-dimethoxyphenyl)-2-ethyl-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.026091
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5633297
• LogD (pH = 7.4): 2.5647497
• Log P: 2.5647771
• Molar Refractivity: 79.8944 cm^3
• Polarizability: 32.70056 Å^3
• Polar Surface Area: 60.03 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: 2.35
• LOG S: -3.27
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 4