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CAS 2227197-41-1

:

Ethyl 4-[5-[[[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-2-pyridinyl]-1-piperazinecarboxylate

Description:
Ethyl 4-[5-[[[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-2-pyridinyl]-1-piperazinecarboxylate, identified by its CAS number 2227197-41-1, is a complex organic compound characterized by its multi-functional structure. It features a piperazine ring, which is a common motif in pharmacologically active compounds, and incorporates a pyridine moiety that may contribute to its biological activity. The presence of an ethyl ester group suggests potential lipophilicity, which can influence its solubility and permeability properties. Additionally, the compound contains a pyrrolidine ring with a chiral center, indicating that it may exhibit stereospecific behavior in biological systems. The dimethylethoxycarbonyl group adds steric bulk, potentially affecting the compound's interaction with biological targets. Overall, this compound's intricate structure suggests it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or enzymes. Further studies would be necessary to elucidate its specific properties and potential therapeutic uses.
Formula:C22H33N5O5
InChI:InChI=1S/C22H33N5O5/c1-5-31-20(29)26-12-10-25(11-13-26)18-7-6-16(14-23-18)19(28)24-17-8-9-27(15-17)21(30)32-22(2,3)4/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,24,28)/t17-/m1/s1
InChI key:InChIKey=IKVZNRKXMFMKNF-QGZVFWFLSA-N
SMILES:C(N[C@H]1CN(C(OC(C)(C)C)=O)CC1)(=O)C2=CC=C(N=C2)N3CCN(C(OCC)=O)CC3
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-[5-[[[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-2-pyridinyl]-, ethyl ester
  • Ethyl 4-[5-[[[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-2-pyridinyl]-1-piperazinecarboxylate
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