U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C24H29F3N8O5S
Molecular Weight 598.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Risovalisib

SMILES

COC(=O)NC1=NC=C(C2=NN3C=C(CN4CCN(CC4)S(C)(=O)=O)C=C3C(=N2)N5CCOCC5)C(=C1)C(F)(F)F

InChI

InChIKey=KTLQDDGRBDLKMN-UHFFFAOYSA-N
InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)

HIDE SMILES / InChI

Molecular Formula C24H29F3N8O5S
Molecular Weight 598.598
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:30:28 GMT 2025
Edited
by admin
on Wed Apr 02 05:30:28 GMT 2025
Record UNII
RCA38L4HB5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYH-33
Preferred Name English
Risovalisib
INN  
Official Name English
methyl {5-[6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4- (morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4- (trifluoromethyl)pyridine-2-yl}carbamate
Systematic Name English
methyl {5-[6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4- (morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4- (trifluoromethyl)pyridine-2-yl}carbamate
Systematic Name English
CYH 33 [WHO-DD]
Common Name English
risovalisib [INN]
Common Name English
CYH33
Code English
CARBAMIC ACID, N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-, METHYL ESTER
Systematic Name English
METHYL N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)CARBAMATE
Systematic Name English
Code System Code Type Description
INN
12448
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
NCI_THESAURUS
C178401
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
SMS_ID
300000050045
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
CAS
1494684-28-4
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
FDA UNII
RCA38L4HB5
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
PUBCHEM
72550012
Created by admin on Wed Apr 02 05:30:28 GMT 2025 , Edited by admin on Wed Apr 02 05:30:28 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
OFF TARGET->NON-INHIBITOR
Related Record Type Details
ACTIVE MOIETY