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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28ClN7O
Molecular Weight 526.032
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of Opnurasib

SMILES

CN1N=CC2=C1C=CC(=C2)C3=NN(C4CC5(C4)CN(C5)C(=O)C=C)C(C)=C3C6=C7C=NNC7=CC(C)=C6Cl

InChI

InChIKey=AZUYLZMQTIKGSC-UHFFFAOYSA-N
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)

HIDE SMILES / InChI

Molecular Formula C29H28ClN7O
Molecular Weight 526.032
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 Sat Dec 16 17:46:43 GMT 2023
Edited
by admin
on Sat Dec 16 17:46:43 GMT 2023
Record UNII
Q3W0H3V1LQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Opnurasib
INN  
Official Name English
NVP-JDQ-443
Common Name English
opnurasib [INN]
Common Name English
1-[6-[(4R)-4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-2-propen-1-one
Systematic Name English
2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-
Systematic Name English
JDQ-443
Code English
-PROPEN-1-ONE, 1-(6-((4R)-4-(5-CHLORO-6-METHYL-1H-INDAZOL-4-YL)-5-METHYL-3-(1-METHYL-1H-INDAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-AZASPIRO(3.3)HEPT-2-YL)-
Systematic Name English
1-{6-[(4M)-4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl}prop-2-en-1-one
Systematic Name English
JDQ 443 [WHO-DD]
Common Name English
JDQ443
Code English
1-{6-[(4M)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5- methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2- azaspiro[3.3]heptan-2-yl}prop-2-en-1-one
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C177916
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
CAS
2653994-08-0
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
INN
12429
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
FDA UNII
Q3W0H3V1LQ
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
PUBCHEM
156501355
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
SMS_ID
300000027202
Created by admin on Sat Dec 16 17:46:43 GMT 2023 , Edited by admin on Sat Dec 16 17:46:43 GMT 2023
PRIMARY
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