N,N-dimethyl-3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide

• ChemBase ID: 387210
• Molecular Formular: C18H20N4O2S
• Molecular Mass: 356.442
• Monoisotopic Mass: 356.1306969
• SMILES: S(=O)(=O)(N1Cc2c(n[nH]c2CC1)c1c2c(ccc1)cccc2)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C
• InChI: InChI=1S/C18H20N4O2S/c1-21(2)25(23,24)22-11-10-17-16(12-22)18(20-19-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-12H2,1-2H3,(H,19,20)
• InChIKey: WRNMMMAKNBYKBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide
• Synonyms: N,N-dimethyl-3-(1-naphthyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.975619
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6857252
• LogD (pH = 7.4): 1.685797
• Log P: 1.685798
• Molar Refractivity: 99.2403 cm^3
• Polarizability: 40.92115 Å^3
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.29
• LOG S: -4.92
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 1