3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-6-methylpyridazine

• ChemBase ID: 838409
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(c1nnc(cc1)C)C2
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)c1ccc(nn1)C
• InChI: InChI=1S/C18H19N5O/c1-12-3-8-17(22-21-12)23-10-9-15-16(11-23)20-18(19-15)13-4-6-14(24-2)7-5-13/h3-8H,9-11H2,1-2H3,(H,19,20)
• InChIKey: FRBOORBXTLYGBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-6-methylpyridazine
• IUPAC Traditional name: 3-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-6-methylpyridazine
• Synonyms: 2-(4-methoxyphenyl)-5-(6-methylpyridazin-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.315476
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3235687
• LogD (pH = 7.4): 1.8806294
• Log P: 1.8954371
• Molar Refractivity: 105.0055 cm^3
• Polarizability: 35.347054 Å^3
• Polar Surface Area: 66.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.98
• LOG S: -3.23
• Polar Surface Area: 66.93 Å^2
• Rotatable Bonds: 3