CAS 1142210-72-7

1,1-Dimethylethyl 3-(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

Description:

1,1-Dimethylethyl 3-(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridine-5-carboxylate, with CAS number 1142210-72-7, is a complex organic compound characterized by its multi-cyclic structure and the presence of various functional groups. This substance features a pyrazolo[4,3-c]pyridine core, which is fused with a triazole ring, indicating potential biological activity, particularly in medicinal chemistry. The presence of a thioxo group suggests reactivity that could be exploited in synthetic applications or biological interactions. The tert-butyl group (1,1-dimethylethyl) contributes to the compound's lipophilicity, potentially influencing its solubility and permeability in biological systems. Additionally, the ethyl substituent on the triazole ring may enhance its pharmacological properties. Overall, this compound's structural complexity and functional diversity make it a candidate for further investigation in drug development or agrochemical applications, although specific biological activities and properties would require empirical studies for confirmation.

Formula: C₁₆H₂₄N₆O₂S

InChI: InChI=1S/C16H24N6O2S/c1-6-22-13(17-18-14(22)25)12-10-9-21(15(23)24-16(2,3)4)8-7-11(10)20(5)19-12/h6-9H2,1-5H3,(H,18,25)

InChI key: InChIKey=RTMKBFMKHHCMEX-UHFFFAOYSA-N

SMILES: C(C)N1C(C=2C3=C(N(C)N2)CCN(C(OC(C)(C)C)=O)C3)=NNC1=S

Synonyms:

• 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-1-methyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridine-5-carboxylate