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CAS 952182-33-1

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Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Description:
Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate, identified by CAS number 952182-33-1, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrrolopyridine core. This compound features a methyl ester functional group, a sulfonyl group attached to a para-methylphenyl moiety, and a trifluoromethyl group, contributing to its unique chemical properties. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, making such compounds of interest in medicinal chemistry. The sulfonyl group can also influence the compound's reactivity and solubility. Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate may exhibit biological activity, potentially serving as a lead compound in drug development, particularly in areas targeting specific receptors or enzymes. Its synthesis and characterization would typically involve standard organic chemistry techniques, including purification methods such as chromatography.
Formula:C17H13F3N2O4S
InChI:InChI=1S/C17H13F3N2O4S/c1-10-3-5-11(6-4-10)27(24,25)22-13-7-8-15(17(18,19)20)21-12(13)9-14(22)16(23)26-2/h3-9H,1-2H3
InChI key:InChIKey=CZLQPAGXBATBGD-UHFFFAOYSA-N
SMILES:S(=O)(=O)(N1C=2C(C=C1C(OC)=O)=NC(C(F)(F)F)=CC2)C3=CC=C(C)C=C3
Synonyms:
  • 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-, methyl ester
  • Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
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