U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H20N6O
Molecular Weight 336.391
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Cyclopentyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

SMILES

OCN1C=CC2=C1N=CN=C2C3=CN(N=C3)C(CC#N)C4CCCC4

InChI

InChIKey=HBWPBIVFCXQPCJ-UHFFFAOYSA-N
InChI=1S/C18H20N6O/c19-7-5-16(13-3-1-2-4-13)24-10-14(9-22-24)17-15-6-8-23(12-25)18(15)21-11-20-17/h6,8-11,13,16,25H,1-5,12H2

HIDE SMILES / InChI

Molecular Formula C18H20N6O
Molecular Weight 336.391
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:38 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:38 GMT 2025
Record UNII
JL2TJ7X3PE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Cyclopentyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
Preferred Name English
Code System Code Type Description
FDA UNII
JL2TJ7X3PE
Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025
PRIMARY
PUBCHEM
72279361
Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025
PRIMARY