CAS 1228666-42-9

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

Description:

1,1-Dimethylethyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate, with CAS number 1228666-42-9, is a chemical compound characterized by its unique structure, which includes a carbamate functional group and a pyrrolopyridine moiety. This compound features a tert-butyl group, contributing to its steric bulk, and a fluorinated pyrrolopyridine, which may enhance its biological activity and lipophilicity. The presence of the fluorine atom can influence the compound's electronic properties, potentially affecting its reactivity and interaction with biological targets. Typically, such compounds are investigated for their pharmacological properties, including potential applications in medicinal chemistry. The specific characteristics, such as solubility, melting point, and stability, would depend on the molecular interactions and the environment in which the compound is studied. Overall, this compound represents a class of molecules that may exhibit interesting biological activities, warranting further research in drug development and related fields.

Formula: C₁₃H₁₆FN₃O₂

InChI: InChI=1S/C13H16FN3O2/c1-13(2,3)19-12(18)17-6-9-8-4-5-15-11(8)16-7-10(9)14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)

InChI key: InChIKey=ILNJJLYIJFAGBI-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C1=C2C(=NC=C1F)NC=C2

Synonyms:

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