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Details

Stereochemistry EPIMERIC
Molecular Formula C16H20N6O
Molecular Weight 312.3696
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(4S)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

SMILES

C[C@H]1CCN(CC1N(C)C2=C3C=CNC3=NC=N2)C(=O)CC#N

InChI

InChIKey=UJLAWZDWDVHWOW-AMGKYWFPSA-N
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13?/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20N6O
Molecular Weight 312.3696
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:59:35 GMT 2025
Edited
by admin
on Wed Apr 02 17:59:35 GMT 2025
Record UNII
AE4FWH227V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(4S)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
Preferred Name English
Code System Code Type Description
PUBCHEM
134694069
Created by admin on Wed Apr 02 17:59:35 GMT 2025 , Edited by admin on Wed Apr 02 17:59:35 GMT 2025
PRIMARY
FDA UNII
AE4FWH227V
Created by admin on Wed Apr 02 17:59:35 GMT 2025 , Edited by admin on Wed Apr 02 17:59:35 GMT 2025
PRIMARY