CAS 937606-10-5

3-Cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-1-acetic acid

Description:

3-Cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-1-acetic acid is a chemical compound characterized by its complex structure, which includes a pyrazolo[3,4-b]pyridine core, a cyclopropyl group, and a trifluoromethyl substituent. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The 4-methylphenyl substituent adds to its aromatic character, potentially affecting its interactions with biological targets. The cyclopropyl moiety introduces strain and rigidity, which can be advantageous in drug design for optimizing binding affinity and selectivity. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Its CAS number, 937606-10-5, allows for easy identification and reference in chemical databases and literature.

Formula: C₁₉H₁₆F₃N₃O₂

InChI: InChI=1S/C19H16F3N3O2/c1-10-2-4-11(5-3-10)14-8-13(19(20,21)22)16-17(12-6-7-12)24-25(9-15(26)27)18(16)23-14/h2-5,8,12H,6-7,9H2,1H3,(H,26,27)

InChI key: InChIKey=SCHAOSOGFDRVCM-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C2C(N(CC(O)=O)N=C2C3CC3)=NC(=C1)C4=CC=C(C)C=C4

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-
• 3-Cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-1-acetic acid
• [3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
• 2-[3-Cyclopropyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
• 2-[3-cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-1-yl]acetic acid

2-[3-Cyclopropyl-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid

CAS: 937606-10-5

Versatile small molecule scaffold

Formula: C₁₉H₁₆F₃N₃O₂

Purity: Min. 95%

Molecular weight: 375.3 g/mol

Ref: 3D-MMB60610