CAS 1011398-52-9

1-[(3-Chlorophenyl)methyl]-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Description:

1-[(3-Chlorophenyl)methyl]-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is a complex organic compound characterized by its pyrazolo-pyridine core structure, which features a carboxylic acid functional group. This compound typically exhibits a range of biological activities, making it of interest in medicinal chemistry. The presence of the 3-chlorophenyl and phenyl groups contributes to its lipophilicity and potential interactions with biological targets. The compound's molecular structure suggests it may participate in hydrogen bonding due to the carboxylic acid group, influencing its solubility and reactivity. Additionally, the presence of multiple aromatic rings may enhance its stability and allow for π-π stacking interactions. Its specific properties, such as melting point, solubility, and spectral characteristics, would depend on the purity and form of the compound. Overall, this substance is a representative example of a pyrazolo-pyridine derivative, which is often explored for its pharmacological potential.

Formula: C₂₁H₁₆ClN₃O₂

InChI: InChI=1S/C21H16ClN3O2/c1-13-19-17(21(26)27)11-18(15-7-3-2-4-8-15)23-20(19)25(24-13)12-14-6-5-9-16(22)10-14/h2-11H,12H2,1H3,(H,26,27)

InChI key: InChIKey=IOBUWRSNUGMYLR-UHFFFAOYSA-N

SMILES: C(N1C=2C(=C(C(O)=O)C=C(N2)C3=CC=CC=C3)C(C)=N1)C4=CC(Cl)=CC=C4

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-[(3-chlorophenyl)methyl]-3-methyl-6-phenyl-
• 1-[(3-Chlorophenyl)methyl]-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid