4-(2-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)-5-CARBAMIMIDOYL-1H-IMIDAZOL-4-YL)-N-(2-PYRIDYL)BENZAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H23N7O2
Molecular Weight	441.4851
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)-5-CARBAMIMIDOYL-1H-IMIDAZOL-4-YL)-N-(2-PYRIDYL)BENZAMIDE

Structure Search

SMILES

CC#CC(=O)N1CCC[C@H]1C2=NC(=C(N2)C(N)=N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=N4

InChI

InChIKey=SKTIXIBUDXUIMG-KRWDZBQOSA-N

InChI=1S/C24H23N7O2/c1-2-6-19(32)31-14-5-7-17(31)23-29-20(21(30-23)22(25)26)15-9-11-16(12-10-15)24(33)28-18-8-3-4-13-27-18/h3-4,8-13,17H,5,7,14H2,1H3,(H3,25,26)(H,29,30)(H,27,28,33)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H23N7O2
Molecular Weight	441.4851
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 15:17:40 UTC 2023` Edited by `admin` on `Sat Dec 16 15:17:40 UTC 2023`
Record UNII	P4Z8WQ5J5F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(2-((2S)-1-BUT-2-YNOYLPYRROLIDIN-2-YL)-5-CARBAMIMIDOYL-1H-IMIDAZOL-4-YL)-N-(2-PYRIDYL)BENZAMIDE

Systematic Name

English

ACALABRUTINIB METABOLITE M37

Common Name

English

Code System Code Type Description

PUBCHEM

146249178

Created by admin on Sat Dec 16 15:17:41 UTC 2023 , Edited by admin on Sat Dec 16 15:17:41 UTC 2023

PRIMARY

FDA UNII

P4Z8WQ5J5F

Created by admin on Sat Dec 16 15:17:41 UTC 2023 , Edited by admin on Sat Dec 16 15:17:41 UTC 2023

PRIMARY

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ACALABRUTINIB

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