CAS 1346447-34-4

1,1-Dimethylethyl N-[3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]carbamate

Description:

1,1-Dimethylethyl N-[3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]carbamate, with the CAS number 1346447-34-4, is a chemical compound characterized by its complex structure, which includes a pyrrolopyridine moiety and a carbamate functional group. This compound features a trifluoromethyl group, which enhances its lipophilicity and may influence its biological activity. The presence of iodine in the structure can impart unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The dimethyl group contributes to steric hindrance, which can affect the compound's interaction with biological targets. Additionally, the carbamate group is known for its role in various biological processes and can serve as a bioisostere for amides. Overall, this compound's unique combination of functional groups suggests potential utility in drug discovery and development, particularly in targeting specific biological pathways or receptors. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₃H₁₃F₃IN₃O₂

InChI: InChI=1S/C13H13F3IN3O2/c1-12(2,3)22-11(21)20-9-6(13(14,15)16)4-18-10-8(9)7(17)5-19-10/h4-5H,1-3H3,(H2,18,19,20,21)

InChI key: InChIKey=UXLOQSWWQKSZOS-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=C2C(=NC=C1C(F)(F)F)NC=C2I

Synonyms:

• 1,1-Dimethylethyl N-[3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]carbamate
• tert-Butyl N-[3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]carbamate
• tert-Butyl (3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)carbamate
• Carbamic acid, N-[3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-, 1,1-dimethylethyl ester