5-{[4-(1,5-dimethyl-1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-2-ethoxypyridine

• ChemBase ID: 396703
• Molecular Formular: C19H24N6O
• Molecular Mass: 352.43346
• Monoisotopic Mass: 352.20115942
• SMILES: c1(C2c3c([nH]cn3)CCN2Cc2cnc(cc2)OCC)c(n(nc1)C)C
• Canonical SMILES: CCOc1ccc(cn1)CN1CCc2c(C1c1cnn(c1C)C)nc[nH]2
• InChI: InChI=1S/C19H24N6O/c1-4-26-17-6-5-14(9-20-17)11-25-8-7-16-18(22-12-21-16)19(25)15-10-23-24(3)13(15)2/h5-6,9-10,12,19H,4,7-8,11H2,1-3H3,(H,21,22)
• InChIKey: JTQMGVIYDVBTFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(1,5-dimethyl-1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-2-ethoxypyridine
• IUPAC Traditional name: 5-{[4-(1,5-dimethylpyrazol-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-2-ethoxypyridine
• Synonyms: 4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-[(6-ethoxypyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.937578
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.54829735
• LogD (pH = 7.4): 1.4151403
• Log P: 1.4730783
• Molar Refractivity: 112.7228 cm^3
• Polarizability: 38.203106 Å^3
• Polar Surface Area: 71.86 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: 0.48
• LOG S: -1.17
• Polar Surface Area: 71.86 Å^2
• Rotatable Bonds: 5