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Details

Stereochemistry RACEMIC
Molecular Formula C20H17N9
Molecular Weight 383.41
Optical Activity ( + / - )
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROPSACITINIB

SMILES

Cn1cc(cn1)-c2cn3c(ccn3)c(-c4cnn(c4)[C@@]5(CC#N)C[C@@]([H])(C5)C#N)n2

InChI

InChIKey=XPLZTJWZDBFWDE-OYOVHJISSA-N
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-

HIDE SMILES / InChI

Molecular Formula C20H17N9
Molecular Weight 383.41
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:01:22 UTC 2021
Edited
by admin
on Sat Jun 26 00:01:22 UTC 2021
Record UNII
HY5SOV7O0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROPSACITINIB
USAN  
Official Name English
CYCLOBUTANEACETONITRILE, 3-CYANO-1-(4-(6-(1-METHYL-1H-PYRAZOL-4- YL)PYRAZOLO(1,5-A)PYRAZIN-4-YL)-1H-PYRAZOL-1-YL)-, TRANS-
Systematic Name English
PF-06826647
Code English
ROPSACITINIB [USAN]
Common Name English
TRANS-3-CYANO-1-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRAZOLO(1,5-A)PYRAZIN-4-YL)- 1H-PYRAZOL-1-YL)-CYCLOBUTANEACETONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
HY5SOV7O0Q
Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021
PRIMARY
CAS
2127109-84-4
Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021
PRIMARY
INN
11834
Created by admin on Sat Jun 26 00:01:22 UTC 2021 , Edited by admin on Sat Jun 26 00:01:22 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY