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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28N6O3
Molecular Weight	472.5389
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-methoxy-1-propanone

Structure Search

SMILES

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

InChI

InChIKey=URYSNWCXWUETLP-LJQANCHMSA-N

InChI=1S/C26H28N6O3/c1-34-15-13-22(33)31-14-5-6-19(16-31)32-26-23(25(27)28-17-29-26)24(30-32)18-9-11-21(12-10-18)35-20-7-3-2-4-8-20/h2-4,7-12,17,19H,5-6,13-16H2,1H3,(H2,27,28,29)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28N6O3
Molecular Weight	472.5389
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	D5DT6Q8MDR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

Ibrutinib methoxy impurity

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

122643891

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

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FDA UNII

D5DT6Q8MDR

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

CAS

2031255-26-0

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

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