Rovadicitinib

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National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Approval Year

Name

Type

Language

Rovadicitinib

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 Sat Dec 16 19:48:01 GMT 2023 , Edited by admin on Sat Dec 16 19:48:01 GMT 2023

PRIMARY

NCI_THESAURUS

C199108

Created by admin on Sat Dec 16 19:48:01 GMT 2023 , Edited by admin on Sat Dec 16 19:48:01 GMT 2023

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INN

12462

Created by admin on Sat Dec 16 19:48:01 GMT 2023 , Edited by admin on Sat Dec 16 19:48:01 GMT 2023

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CAS

1948242-59-8

Created by admin on Sat Dec 16 19:48:01 GMT 2023 , Edited by admin on Sat Dec 16 19:48:01 GMT 2023

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FDA UNII

A4V35P6KWS

Created by admin on Sat Dec 16 19:48:01 GMT 2023 , Edited by admin on Sat Dec 16 19:48:01 GMT 2023

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SUBSTANCE RECORD


					A4V35P6KWS