4-(8-AMINO-3-(1-BUT-2-YNOYL-2,3-DIHYDROPYRROL-5-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)-N-(2-PYRIDYL)BENZAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H21N7O2
Molecular Weight	463.4906
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(8-AMINO-3-(1-BUT-2-YNOYL-2,3-DIHYDROPYRROL-5-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)-N-(2-PYRIDYL)BENZAMIDE

Structure Search

SMILES

CC#CC(=O)N1CCC=C1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChI

InChIKey=LWOMTMVTNVSWGT-UHFFFAOYSA-N

InChI=1S/C26H21N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,7-14,16H,5,15H2,1H3,(H2,27,29)(H,28,30,35)

HIDE SMILES / InChI

Molecular Formula	C26H21N7O2
Molecular Weight	463.4906
Charge	0
Count

Stereochemistry	ABSOLUTE
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 14:35:45 GMT 2023` Edited by `admin` on `Sat Dec 16 14:35:45 GMT 2023`
Record UNII	SP9546VC4G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(8-AMINO-3-(1-BUT-2-YNOYL-2,3-DIHYDROPYRROL-5-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)-N-(2-PYRIDYL)BENZAMIDE

Systematic Name

English

ACALABRUTINIB METABOLITE M25

Common Name

English

Code System Code Type Description

FDA UNII

SP9546VC4G

Created by admin on Sat Dec 16 14:35:46 GMT 2023 , Edited by admin on Sat Dec 16 14:35:46 GMT 2023

PRIMARY

PUBCHEM

156596923

Created by admin on Sat Dec 16 14:35:46 GMT 2023 , Edited by admin on Sat Dec 16 14:35:46 GMT 2023

PRIMARY

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ACALABRUTINIB

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Qualification:

PLASMA

Amount: