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

• ChemBase ID: 230554
• Molecular Formular: C19H16N6O
• Molecular Mass: 344.36994
• Monoisotopic Mass: 344.13855916
• SMILES: c12n(nc(c1c(cc(n2)c1cnccc1)C(=O)NN)C)c1ccccc1
• Canonical SMILES: NNC(=O)c1cc(nc2c1c(C)nn2c1ccccc1)c1cccnc1
• InChI: InChI=1S/C19H16N6O/c1-12-17-15(19(26)23-20)10-16(13-6-5-9-21-11-13)22-18(17)25(24-12)14-7-3-2-4-8-14/h2-11H,20H2,1H3,(H,23,26)
• InChIKey: HWVPISLWHJCSLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03968058
• PubChem SID: 164286464
• PubChem CID: 4461798

CALCULATED PROPERTIES

• Acid pKa: 14.23892
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7056613
• LogD (pH = 7.4): 1.7283711
• Log P: 1.7286699
• Molar Refractivity: 99.3044 cm^3
• Polarizability: 39.46562 Å^3
• Polar Surface Area: 98.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.03

Product Information

• Purity: 95%