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

• ChemBase ID: 230549
• Molecular Formular: C21H19N5O2
• Molecular Mass: 373.40786
• Monoisotopic Mass: 373.15387487
• SMILES: c12n(nc(c1c(cc(n2)c1ccc(cc1)OC)C(=O)NN)C)c1ccccc1
• Canonical SMILES: NNC(=O)c1cc(nc2c1c(C)nn2c1ccccc1)c1ccc(cc1)OC
• InChI: InChI=1S/C21H19N5O2/c1-13-19-17(21(27)24-22)12-18(14-8-10-16(28-2)11-9-14)23-20(19)26(25-13)15-6-4-3-5-7-15/h3-12H,22H2,1-2H3,(H,24,27)
• InChIKey: RAJBPHPBEDTSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
• IUPAC Traditional name: 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbohydrazide
• Synonyms: 6-(4-Methoxy-phenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD02720422
• PubChem SID: 164286459
• PubChem CID: 2369435

CALCULATED PROPERTIES

• Acid pKa: 14.27223
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.7879086
• LogD (pH = 7.4): 2.7886615
• Log P: 2.788671
• Molar Refractivity: 107.9245 cm^3
• Polarizability: 42.87461 Å^3
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.784

Product Information

• Purity: 95%