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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N7
Molecular Weight 321.3797
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Rovadicitinib

SMILES

NC1=NN(C=C1C2=C3C=CNC3=NC=N2)[C@H](CC#N)C4CCCC4

InChI

InChIKey=ZGENDZDSLYKCSI-CQSZACIVSA-N
InChI=1S/C17H19N7/c18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15/h6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19N7
Molecular Weight 321.3797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:53:41 UTC 2023
Edited
by admin
on Fri Jul 07 00:53:41 UTC 2023
Record UNII
A4V35P6KWS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Rovadicitinib
INN  
Official Name English
1H-Pyrazole-1-propanenitrile, 3-amino-β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βR)-
Systematic Name English
(βR)-3-Amino-β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile
Systematic Name English
(3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H- pyrazol-1-yl]-3-cyclopentylpropanenitrile
Systematic Name English
rovadicitinib [INN]
Common Name English
Code System Code Type Description
PUBCHEM
121427554
Created by admin on Fri Jul 07 00:53:42 UTC 2023 , Edited by admin on Fri Jul 07 00:53:42 UTC 2023
PRIMARY
NCI_THESAURUS
C199108
Created by admin on Fri Jul 07 00:53:42 UTC 2023 , Edited by admin on Fri Jul 07 00:53:42 UTC 2023
PRIMARY
INN
12462
Created by admin on Fri Jul 07 00:53:42 UTC 2023 , Edited by admin on Fri Jul 07 00:53:42 UTC 2023
PRIMARY
CAS
1948242-59-8
Created by admin on Fri Jul 07 00:53:42 UTC 2023 , Edited by admin on Fri Jul 07 00:53:42 UTC 2023
PRIMARY
FDA UNII
A4V35P6KWS
Created by admin on Fri Jul 07 00:53:42 UTC 2023 , Edited by admin on Fri Jul 07 00:53:42 UTC 2023
PRIMARY