CAS 1346447-44-6

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

Description:

1,1-Dimethylethyl N-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]carbamate, identified by its CAS number 1346447-44-6, is a chemical compound characterized by its unique structural features, including a carbamate functional group and a pyrrolopyridine moiety. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit specific pharmacological properties, making it of interest in medicinal chemistry and drug development. Its molecular structure suggests potential interactions with biological targets, which could lead to applications in therapeutic contexts. Additionally, the dimethyl substituents contribute to steric hindrance, potentially affecting its reactivity and binding affinity. As with many compounds containing fluorinated groups, it may also exhibit distinct physical and chemical properties, such as increased stability and altered solubility. Overall, this compound represents a class of molecules that may be explored for their utility in various chemical and biological applications.

Formula: C₁₃H₁₄F₃N₃O₂

InChI: InChI=1S/C13H14F3N3O2/c1-12(2,3)21-11(20)19-9-7-4-5-17-10(7)18-6-8(9)13(14,15)16/h4-6H,1-3H3,(H2,17,18,19,20)

InChI key: InChIKey=SKUUJLGZZDOUBE-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=C2C(=NC=C1C(F)(F)F)NC=C2

Synonyms:

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