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CAS 1235865-76-5

:

Methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

Description:
Methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate, identified by CAS number 1235865-76-5, is a complex organic compound characterized by its multi-functional structure. It features a benzoate moiety, which is an ester derived from benzoic acid, and incorporates a piperazine ring, known for its presence in various pharmacologically active compounds. The molecule also contains a pyrrolopyridine unit, contributing to its potential biological activity. The presence of a chlorophenyl group and a cyclohexene structure suggests that it may exhibit unique interactions with biological targets, possibly influencing its pharmacokinetic and pharmacodynamic properties. This compound is likely to be of interest in medicinal chemistry, particularly in the development of therapeutic agents, due to its intricate structure that may confer specific biological activities. However, detailed studies would be necessary to elucidate its exact properties, including solubility, stability, and biological efficacy.
Formula:C34H37ClN4O3
InChI:InChI=1S/C34H37ClN4O3/c1-34(2)12-10-25(30(20-34)23-4-6-26(35)7-5-23)22-38-14-16-39(17-15-38)27-8-9-29(33(40)41-3)31(19-27)42-28-18-24-11-13-36-32(24)37-21-28/h4-9,11,13,18-19,21H,10,12,14-17,20,22H2,1-3H3,(H,36,37)
InChI key:InChIKey=WTJICTJVHMECBX-UHFFFAOYSA-N
SMILES:C(C1=C(CC(C)(C)CC1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC(OC=5C=C6C(=NC5)NC=C6)=C(C(OC)=O)C=C4
Synonyms:
  • Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, methyl ester
  • Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoate
  • Methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
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