3-methyl-1-phenyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide

• ChemBase ID: 230998
• Molecular Formular: C18H15N5OS
• Molecular Mass: 349.4096
• Monoisotopic Mass: 349.09973113
• SMILES: c12n(nc(c1c(cc(n2)c1sccc1)C(=O)NN)C)c1ccccc1
• Canonical SMILES: NNC(=O)c1cc(nc2c1c(C)nn2c1ccccc1)c1cccs1
• InChI: InChI=1S/C18H15N5OS/c1-11-16-13(18(24)21-19)10-14(15-8-5-9-25-15)20-17(16)23(22-11)12-6-3-2-4-7-12/h2-10H,19H2,1H3,(H,21,24)
• InChIKey: CXCDZHIYBLZXCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-phenyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
• IUPAC Traditional name: 3-methyl-1-phenyl-6-(thiophen-2-yl)pyrazolo[3,4-b]pyridine-4-carbohydrazide
• Synonyms: 3-Methyl-1-phenyl-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD03956408
• PubChem SID: 164286908
• PubChem CID: 4404336

CALCULATED PROPERTIES

• Acid pKa: 14.185872
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7227416
• LogD (pH = 7.4): 2.723481
• Log P: 2.7234902
• Molar Refractivity: 98.3512 cm^3
• Polarizability: 39.005386 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.888

Product Information

• Purity: 95%