4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide

• ChemBase ID: 275994
• Molecular Formular: C8H10N4O2S
• Molecular Mass: 226.2556
• Monoisotopic Mass: 226.05244658
• SMILES: c1(S(=O)(=O)N)c2c([nH]n1)nc(cc2C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)[nH]nc2S(=O)(=O)N
• InChI: InChI=1S/C8H10N4O2S/c1-4-3-5(2)10-7-6(4)8(12-11-7)15(9,13)14/h3H,1-2H3,(H2,9,13,14)(H,10,11,12)
• InChIKey: XGWONOCRIYMLAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide
• IUPAC Traditional name: 4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide
• Synonyms: 4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD19382001
• PubChem SID: 164331904
• PubChem CID: 14904318

CALCULATED PROPERTIES

• Acid pKa: 8.523205
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2908209
• LogD (pH = 7.4): 0.2634919
• Log P: 0.2913772
• Molar Refractivity: 55.9729 cm^3
• Polarizability: 21.96414 Å^3
• Polar Surface Area: 101.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.949

Product Information

• Purity: 95%