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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25N7O3
Molecular Weight 483.5218
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[8-amino-3-[(2S)-1-(3-oxobutanoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

SMILES

CC(=O)CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChI

InChIKey=TXJIIJNPPIJVPV-IBGZPJMESA-N
InChI=1S/C26H25N7O3/c1-16(34)15-21(35)32-13-4-5-19(32)25-31-22(23-24(27)29-12-14-33(23)25)17-7-9-18(10-8-17)26(36)30-20-6-2-3-11-28-20/h2-3,6-12,14,19H,4-5,13,15H2,1H3,(H2,27,29)(H,28,30,36)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25N7O3
Molecular Weight 483.5218
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:53:28 GMT 2023
Edited
by admin
on Sat Dec 16 14:53:28 GMT 2023
Record UNII
3LYU6D4AZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[8-amino-3-[(2S)-1-(3-oxobutanoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
Systematic Name English
ACALABRUTINIB METABOLITE M23
Common Name English
ACP-5134
Common Name English
Code System Code Type Description
PUBCHEM
146249179
Created by admin on Sat Dec 16 14:53:28 GMT 2023 , Edited by admin on Sat Dec 16 14:53:28 GMT 2023
PRIMARY
FDA UNII
3LYU6D4AZC
Created by admin on Sat Dec 16 14:53:28 GMT 2023 , Edited by admin on Sat Dec 16 14:53:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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