N-benzyl-3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide

• ChemBase ID: 557271
• Molecular Formular: C17H22N4O2S
• Molecular Mass: 346.44718
• Monoisotopic Mass: 346.14634696
• SMILES: c12c(n[nH]c1CCN(S(=O)(=O)NCc1ccccc1)C2)C1CCC1
• Canonical SMILES: O=S(=O)(N1CCc2c(C1)c(n[nH]2)C1CCC1)NCc1ccccc1
• InChI: InChI=1S/C17H22N4O2S/c22-24(23,18-11-13-5-2-1-3-6-13)21-10-9-16-15(12-21)17(20-19-16)14-7-4-8-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20)
• InChIKey: TTZBYSOUNJSZHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide
• IUPAC Traditional name: N-benzyl-3-cyclobutyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonamide
• Synonyms: N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.779677
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5193497
• LogD (pH = 7.4): 1.5196118
• Log P: 1.5197778
• Molar Refractivity: 94.3335 cm^3
• Polarizability: 36.76148 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.75
• LOG S: -3.22
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3