CAS 1076198-91-8

1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(phenylmethyl) 1,4-piperazinedicarboxylate

Description:

The chemical substance known as 1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(phenylmethyl) 1,4-piperazinedicarboxylate, with the CAS number 1076198-91-8, is a complex organic compound characterized by its multi-ring structure and the presence of various functional groups. It features a piperazine core, which is a common motif in pharmacologically active compounds, and is substituted with a phenylmethyl group and a pyridinyl moiety. The presence of a chloro substituent and a diketone functionality contributes to its potential reactivity and biological activity. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its intricate structure suggests potential for diverse interactions with biological targets, making it a candidate for further investigation in drug discovery and development. However, specific properties such as solubility, stability, and biological activity would require empirical studies for comprehensive characterization.

Formula: C₂₄H₂₁ClN₆O₅

InChI: InChI=1S/C24H21ClN6O5/c25-17-6-7-18(28-14-17)31-21(32)19-20(27-9-8-26-19)22(31)36-24(34)30-12-10-29(11-13-30)23(33)35-15-16-4-2-1-3-5-16/h1-9,14,22H,10-13,15H2

InChI key: InChIKey=CBGJKTZVYOTBQN-UHFFFAOYSA-N

SMILES: O(C(=O)N1CCN(C(OCC2=CC=CC=C2)=O)CC1)C3N(C(=O)C=4C3=NC=CN4)C5=CC=C(Cl)C=N5

Synonyms:

• 1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(phenylmethyl) 1,4-piperazinedicarboxylate
• 1,4-Piperazinedicarboxylic acid, 1-[6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(phenylmethyl) ester
• 1-Benzyl 4-[6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl]piperazine-1,4-dicarboxylate