CAS 736995-63-4

2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one

Description:

The chemical substance known as 2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one, with the CAS number 736995-63-4, is a complex organic compound characterized by its multi-ring structure and the presence of various halogen substituents. This compound features a benzoxazinone core, which is a bicyclic structure that includes both a benzene and a lactam moiety. The presence of bromine, chlorine, and iodine atoms contributes to its unique reactivity and potential biological activity. The pyridine and pyrazole rings suggest that this compound may exhibit interesting pharmacological properties, possibly acting as a ligand or inhibitor in biological systems. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of multiple functional groups may influence its solubility, stability, and interaction with biological targets, making it a subject of interest for further research in drug discovery and development.

Formula: C₁₇H₉BrClIN₄O₂

InChI: InChI=1S/C17H9BrClIN4O2/c1-8-5-9(20)6-10-14(8)22-16(26-17(10)25)12-7-13(18)23-24(12)15-11(19)3-2-4-21-15/h2-7H,1H3

InChI key: InChIKey=ZJUQAMFSOPQGKH-UHFFFAOYSA-N

SMILES: ClC1=C(N2C(=CC(Br)=N2)C3=NC=4C(C(=O)O3)=CC(I)=CC4C)N=CC=C1

Synonyms:

• 2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one
• 4H-3,1-Benzoxazin-4-one, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-
• 2-[5-Bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-iodo-8-methyl-3,1-benzoxazin-4-one