VECABRUTINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24ClF4N7O2
Molecular Weight	529.918
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)[C@H]1CCN(C[C@@H]1N2CCC[C@@H](NC3=CC(=CC(Cl)=C3)C(F)(F)F)C2=O)C4=C(F)C(N)=NC=N4

InChI

InChIKey=QLRRJMOBVVGXEJ-XHSDSOJGSA-N

InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H24ClF4N7O2
Molecular Weight	529.918
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase BTK 17	Inhibitor 7468

Substance Class	Chemical Created by `admin` on `Mon Oct 21 22:36:57 UTC 2019` Edited by `admin` on `Mon Oct 21 22:36:57 UTC 2019`
Record UNII	PQ7O0OB5GU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VECABRUTINIB

Official Name

English

FP0182

Code

English

BIIB-062

Code

English

(3R,3'R,4'S)-1'-(6-AMINO-5-FLUOROPYRIMIDIN-4-YL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXO-(1,3'-BIPIPERIDINE)-4'-CARBOXAMIDE

Systematic Name

English

(1,3'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(6-AMINO-5-FLUORO-4-PYRIMIDINYL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXO-, (3R,3'R,4'S)-

Systematic Name

English

BSK-4841

Code

English

SNS-062

Code

English

FP-0182

Code

English

VECABRUTINIB [INN]

Common Name

English

VECABRUTINIB [WHO-DD]

Common Name

English

VECABRUTINIB [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C124801