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CAS 1616761-00-2

:

(3R,4R)-3-[(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile

Description:
The chemical substance with the name "(3R,4R)-3-[(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile" and CAS number "1616761-00-2" is characterized by its complex molecular structure, which includes a piperidine ring, a pyrrolopyrimidine moiety, and a nitrile functional group. The presence of a chloro substituent indicates potential reactivity and biological activity, often associated with compounds that exhibit pharmacological properties. The stereochemistry denoted by (3R,4R) suggests specific spatial arrangements of atoms, which can significantly influence the compound's interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of therapeutic agents, due to its unique structural features that could confer specific biological activities. Additionally, the β-oxo group may enhance its reactivity and solubility, making it a candidate for further investigation in drug design and synthesis. Overall, this substance exemplifies the intricate relationship between molecular structure and potential biological function.
Formula:C16H19ClN6O
InChI:InChI=1S/C16H19ClN6O/c1-10-5-8-23(13(24)3-6-18)9-12(10)22(2)15-11-4-7-19-14(11)20-16(17)21-15/h4,7,10,12H,3,5,8-9H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1
InChI key:InChIKey=PBBKAMYFZVSJCI-PWSUYJOCSA-N
SMILES:N(C)(C1=C2C(=NC(Cl)=N1)NC=C2)[C@H]3CN(C(CC#N)=O)CC[C@H]3C
Synonyms:
  • 1-Piperidinepropanenitrile, 3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-, (3R,4R)-
  • (3R,4R)-3-[(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile
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