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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18ClF4N5O2
Molecular Weight 495.857
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Izumerogant

SMILES

CC(C)(O)CCN1N=CC(C2=C(C(=NO2)C3=C(Cl)C=CC=C3F)C4=NC=CC=N4)=C1C(F)(F)F

InChI

InChIKey=MRJLIFZIFUEXQG-UHFFFAOYSA-N
InChI=1S/C22H18ClF4N5O2/c1-21(2,33)7-10-32-19(22(25,26)27)12(11-30-32)18-16(20-28-8-4-9-29-20)17(31-34-18)15-13(23)5-3-6-14(15)24/h3-6,8-9,11,33H,7,10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Izumerogant
INN  
Official Name English
izumerogant [INN]
Common Name English
4-[3-(2-Chloro-6-fluorophenyl)-4-(2-pyrimidinyl)-5-isoxazolyl]-α,α-dimethyl-5-(trifluoromethyl)-1H-pyrazole-1-propanol
Systematic Name English
4-{4-[3-(2-chloro-6-fluorophenyl)-4-(pyrimidin-2-yl)-1,2-oxazol- 5-yl]-5-(trifluoromethyl)-1H-pyrazol-1-yl}-2-methylbutan-2-ol
Systematic Name English
1H-Pyrazole-1-propanol, 4-[3-(2-chloro-6-fluorophenyl)-4-(2-pyrimidinyl)-5-isoxazolyl]-α,α-dimethyl-5-(trifluoromethyl)-
Systematic Name English
4-{4-[3-(2-chloro-6-fluorophenyl)-4-(pyrimidin-2-yl)-1,2-oxazol- 5-yl]-5-(trifluoromethyl)-1H-pyrazol-1-yl}-2-methylbutan-2-ol
Systematic Name English
Code System Code Type Description
FDA UNII
3YCU39T8ZJ
Created by admin on Sat Dec 16 19:21:23 GMT 2023 , Edited by admin on Sat Dec 16 19:21:23 GMT 2023
PRIMARY
NCI_THESAURUS
C199063
Created by admin on Sat Dec 16 19:21:23 GMT 2023 , Edited by admin on Sat Dec 16 19:21:23 GMT 2023
PRIMARY
CAS
2299252-72-3
Created by admin on Sat Dec 16 19:21:23 GMT 2023 , Edited by admin on Sat Dec 16 19:21:23 GMT 2023
PRIMARY
PUBCHEM
154695807
Created by admin on Sat Dec 16 19:21:23 GMT 2023 , Edited by admin on Sat Dec 16 19:21:23 GMT 2023
PRIMARY
INN
12447
Created by admin on Sat Dec 16 19:21:23 GMT 2023 , Edited by admin on Sat Dec 16 19:21:23 GMT 2023
PRIMARY