2-methoxy-5-{[4-(propan-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}phenol

• ChemBase ID: 762998
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c12C(N(Cc3cc(c(cc3)OC)O)CCc1[nH]cn2)C(C)C
• Canonical SMILES: COc1ccc(cc1O)CN1CCc2c(C1C(C)C)nc[nH]2
• InChI: InChI=1S/C17H23N3O2/c1-11(2)17-16-13(18-10-19-16)6-7-20(17)9-12-4-5-15(22-3)14(21)8-12/h4-5,8,10-11,17,21H,6-7,9H2,1-3H3,(H,18,19)
• InChIKey: GFIDPKPDRSLQJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-{[4-(propan-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}phenol
• IUPAC Traditional name: 5-({4-isopropyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)-2-methoxyphenol
• Synonyms: 5-[(4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-methoxyphenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.8524275
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.98665094
• LogD (pH = 7.4): 2.1527836
• Log P: 2.3283286
• Molar Refractivity: 86.877 cm^3
• Polarizability: 33.461807 Å^3
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.46
• LOG S: -2.65
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 4