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

• ChemBase ID: 735349
• Molecular Formular: C17H15F2N5
• Molecular Mass: 327.3313064
• Monoisotopic Mass: 327.12955195
• SMILES: c1(nc2c([nH]1)CCN(c1nnc(cc1)C)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Cc1ccc(nn1)N1CCc2c(C1)nc([nH]2)c1ccc(cc1F)F
• InChI: InChI=1S/C17H15F2N5/c1-10-2-5-16(23-22-10)24-7-6-14-15(9-24)21-17(20-14)12-4-3-11(18)8-13(12)19/h2-5,8H,6-7,9H2,1H3,(H,20,21)
• InChIKey: LPNYGLNYSKFQKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.785763
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9986632
• LogD (pH = 7.4): 2.332268
• Log P: 2.3385122
• Molar Refractivity: 98.9751 cm^3
• Polarizability: 32.199894 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -3.04
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 2