4-(8-AMINO-3-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19N5O3
Molecular Weight	389.4073
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(8-AMINO-3-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Structure Search

SMILES

CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(O)=O

InChI

InChIKey=WFGBVXNRQASFMA-HNNXBMFYSA-N

InChI=1S/C21H19N5O3/c1-2-4-16(27)25-11-3-5-15(25)20-24-17(18-19(22)23-10-12-26(18)20)13-6-8-14(9-7-13)21(28)29/h6-10,12,15H,3,5,11H2,1H3,(H2,22,23)(H,28,29)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4-(8-AMINO-3-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID

Systematic Name

English

ACALABRUTINIB METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

155928786

Created by admin on Sat Dec 16 15:11:49 GMT 2023 , Edited by admin on Sat Dec 16 15:11:49 GMT 2023

PRIMARY

FDA UNII

S847BNT49F

Created by admin on Sat Dec 16 15:11:49 GMT 2023 , Edited by admin on Sat Dec 16 15:11:49 GMT 2023

PRIMARY

PARENT (METABOLITE)


					I42748ELQW

ACALABRUTINIB

SUBSTANCE RECORD


					S847BNT49F

4-(8-AMINO-3-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)IMIDAZO(1,5-A)PYRAZIN-1-YL)BENZOIC ACID