Zunsemetinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H22ClF2N5O3
Molecular Weight	513.924
Optical Activity	( - )
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, (S)-

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(OCC2=NC=C(F)C=C2F)=C(Cl)C(=O)N1C3=C(C)C=NC(=C3)C4=NC(=NC=C4)C(C)(C)O

InChI

InChIKey=FQPQMJULRZINPV-UHFFFAOYSA-N

InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C25H22ClF2N5O3
Molecular Weight	513.924
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 14:52:03 UTC 2023` Edited by `admin` on `Sat Dec 16 14:52:03 UTC 2023`
Record UNII	AX2VWG0ZCR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Zunsemetinib

Official Name

English

(-)-3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5',6-dimethyl[1(2H),4'-bipyridin]-2-one

Systematic Name

English

ATI 450 [WHO-DD]

Common Name

English

[1(2H),4′-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl-, (2′S)-

Systematic Name

English

CDD450

Code

English

zunsemetinib [INN]

Common Name

English

ATI450

Code

English

ATI-450

Code

English

CDD-450

Code

English

(2′S)-3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl[1(2H),4′-bipyridin]-2-one

Systematic Name

English

ZUNSEMETINIB [USAN]

Common Name

English

(P)-(3-chloro-4-((3,5-difluoropyridin-2-yl)methoxy)-2'-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-5',6-dimethyl-2H-[1,4'-bipyridin]-2-one)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

795720