Izumerogant

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 Search

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

Molecular Formula	C22H18ClF4N5O2
Molecular Weight	495.857
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 19:21:23 UTC 2023` Edited by `admin` on `Sat Dec 16 19:21:23 UTC 2023`
Record UNII	3YCU39T8ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Izumerogant

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