4-(8-AMINO-1-(4-(2-PYRIDYLCARBAMOYL)PHENYL)IMIDAZO(1,5-A)PYRAZIN-3-YL)-4-OXO-BUTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N6O4
Molecular Weight	430.4161
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(8-AMINO-1-(4-(2-PYRIDYLCARBAMOYL)PHENYL)IMIDAZO(1,5-A)PYRAZIN-3-YL)-4-OXO-BUTANOIC ACID

Structure Search

SMILES

NC1=NC=CN2C(=NC(=C12)C3=CC=C(C=C3)C(=O)NC4=CC=CC=N4)C(=O)CCC(O)=O

InChI

InChIKey=UKOHGNIJCJBKFA-UHFFFAOYSA-N

InChI=1S/C22H18N6O4/c23-20-19-18(27-21(28(19)12-11-25-20)15(29)8-9-17(30)31)13-4-6-14(7-5-13)22(32)26-16-3-1-2-10-24-16/h1-7,10-12H,8-9H2,(H2,23,25)(H,30,31)(H,24,26,32)

HIDE SMILES / InChI

Molecular Formula	C22H18N6O4
Molecular Weight	430.4161
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 14:38:08 UTC 2023` Edited by `admin` on `Sat Dec 16 14:38:08 UTC 2023`
Record UNII	K4RBK6SA3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(8-AMINO-1-(4-(2-PYRIDYLCARBAMOYL)PHENYL)IMIDAZO(1,5-A)PYRAZIN-3-YL)-4-OXO-BUTANOIC ACID

Systematic Name

English

ACALABRUTINIB METABOLITE M3

Common Name

English

Code System Code Type Description

FDA UNII

K4RBK6SA3L

Created by admin on Sat Dec 16 14:38:08 UTC 2023 , Edited by admin on Sat Dec 16 14:38:08 UTC 2023

PRIMARY

PUBCHEM

155929046

Created by admin on Sat Dec 16 14:38:08 UTC 2023 , Edited by admin on Sat Dec 16 14:38:08 UTC 2023

PRIMARY

Related Record Type Details


					I42748ELQW

ACALABRUTINIB

PARENT -> METABOLITE

Qualification:

PLASMA