7-methyl-2-(3-methylphenyl)-3-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline

• ChemBase ID: 460264
• Molecular Formular: C24H24N4
• Molecular Mass: 368.47416
• Monoisotopic Mass: 368.20009679
• SMILES: n1c(c(cc2c1cc(cc2)C)CN1Cc2c(n[nH]c2)CC1)c1cc(ccc1)C
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2)CN1CCc2c(C1)c[nH]n2)c1cccc(c1)C
• InChI: InChI=1S/C24H24N4/c1-16-4-3-5-19(10-16)24-20(12-18-7-6-17(2)11-23(18)26-24)14-28-9-8-22-21(15-28)13-25-27-22/h3-7,10-13H,8-9,14-15H2,1-2H3,(H,25,27)
• InChIKey: WCBYRHAIHSRIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(3-methylphenyl)-3-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline
• IUPAC Traditional name: 7-methyl-2-(3-methylphenyl)-3-{2H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline
• Synonyms: 7-methyl-2-(3-methylphenyl)-3-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.784007
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2040877
• LogD (pH = 7.4): 4.8564377
• Log P: 5.2305846
• Molar Refractivity: 114.4004 cm^3
• Polarizability: 46.06875 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.2
• LOG S: -4.46
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3