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CAS 2212021-51-5

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1H-Indole-2-carboxylic acid, 1-[(1S,2S)-1-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-(tetrahydro-2H-pyran-4-yl)-

Description:
1H-Indole-2-carboxylic acid, 1-[(1S,2S)-1-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-(tetrahydro-2H-pyran-4-yl)- is a complex organic compound characterized by its indole core, which is a bicyclic structure consisting of a benzene ring fused to a pyrrole ring. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a cyclopropyl group and a tetrahydropyran moiety indicates a degree of structural complexity, which may influence its biological activity and solubility. Additionally, the oxadiazole ring suggests potential applications in medicinal chemistry, as such heterocycles are often associated with bioactive properties. The stereochemistry indicated by the (1S,2S) configuration suggests specific spatial arrangements that could affect the compound's interactions with biological targets. Overall, this compound's unique structural features may render it of interest in pharmaceutical research, particularly in the development of new therapeutic agents.
Formula:C20H21N3O5
InChI:InChI=1S/C20H21N3O5/c1-11-10-20(11,18-21-19(26)28-22-18)23-15-3-2-13(12-4-6-27-7-5-12)8-14(15)9-16(23)17(24)25/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,24,25)(H,21,22,26)/t11-,20-/m0/s1
InChI key:IEEAIJFODIRBMY-YBTHPKLGSA-N
SMILES:C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)C5CCOCC5)C=C3C(=O)O
Synonyms:
  • 1-[(1S,2S)-2-Methyl-1-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)cyclopropyl]-5-(tetrahydro-2H-pyran-4-yl)-1H-indole-2-carboxylic Acid
  • 1H-Indole-2-carboxylic acid, 1-[(1S,2S)-1-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-(tetrahydro-2H-pyran-4-yl)-
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