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CAS 1353877-98-1

:

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-amino-1,6-dimethyl-4-(trifluoromethyl)-, ethyl ester

Description:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-amino-1,6-dimethyl-4-(trifluoromethyl)-, ethyl ester, identified by CAS number 1353877-98-1, is a chemical compound characterized by its complex heterocyclic structure, which includes a pyrrolopyridine core. This compound features a carboxylic acid functional group, an ethyl ester moiety, and multiple substituents, including amino and trifluoromethyl groups. The presence of the trifluoromethyl group often enhances the lipophilicity and biological activity of the compound, making it of interest in medicinal chemistry. The dimethyl substitution at the 1 and 6 positions contributes to its steric properties, potentially influencing its reactivity and interaction with biological targets. This compound may exhibit various pharmacological activities, and its unique structure suggests potential applications in drug development, particularly in the fields of oncology or neurology. As with many heterocycles, its solubility, stability, and reactivity can vary significantly based on the specific conditions and solvents used.
Formula:C13H14F3N3O2
InChI:InChI=1S/C13H14F3N3O2/c1-4-21-12(20)10-9(17)8-7(13(14,15)16)5-6(2)18-11(8)19(10)3/h5H,4,17H2,1-3H3
InChI key:InChIKey=MGTGNZHATGTMIS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C2C(N(C)C(C(OCC)=O)=C2N)=NC(C)=C1
Synonyms:
  • Ethyl 3-amino-1,6-dimethyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
  • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-amino-1,6-dimethyl-4-(trifluoromethyl)-, ethyl ester
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