1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethan-1-one, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H24N6O2
Molecular Weight	428.4864
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethan-1-one, (R)-

Structure Search

SMILES

CC(=O)N1CCC[C@H](C1)N2N=C(C3=C2N=CN=C3N)C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=UGQZHVLBHJPPMY-GOSISDBHSA-N

InChI=1S/C24H24N6O2/c1-16(31)29-13-5-6-18(14-29)30-24-21(23(25)26-15-27-24)22(28-30)17-9-11-20(12-10-17)32-19-7-3-2-4-8-19/h2-4,7-12,15,18H,5-6,13-14H2,1H3,(H2,25,26,27)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H24N6O2
Molecular Weight	428.4864
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 `Wed Apr 02 17:18:32 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:32 GMT 2025`
Record UNII	BS3XHS4GTP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethan-1-one, (R)-

Systematic Name

English

Ibrutinib acetyl impurity

Preferred Name

English

(R)-1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone

Systematic Name

English

1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]ethanone

Systematic Name

English

Ethanone, 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-

Systematic Name

English

Code System Code Type Description

CAS

1288338-95-3

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

PRIMARY

FDA UNII

BS3XHS4GTP

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

PRIMARY

PUBCHEM

58223321

Created by admin on Wed Apr 02 17:18:32 GMT 2025 , Edited by admin on Wed Apr 02 17:18:32 GMT 2025

PRIMARY