1-[(3R)-3-[4-Amino-7-oxido-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24N6O3
Molecular Weight	456.4965
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(3R)-3-[4-Amino-7-oxido-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Structure Search

SMILES

NC1=NC=[N+]([O-])C2=C1C(=NN2[C@@H]3CCCN(C3)C(=O)C=C)C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=XAFFIRHKXVLJIW-GOSISDBHSA-N

InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-25-22(24(26)27-16-30(25)33)23(28-31)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H24N6O3
Molecular Weight	456.4965
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 20:29:05 GMT 2025` Edited by `admin` on `Wed Apr 02 20:29:05 GMT 2025`
Record UNII	W6G8RWC8QN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-[(3R)-3-[4-Amino-7-oxido-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Systematic Name

English

2-Propen-1-one, 1-[(3R)-3-[4-amino-7-oxido-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-

Preferred Name

English

Code System Code Type Description

FDA UNII

W6G8RWC8QN

Created by admin on Wed Apr 02 20:29:05 GMT 2025 , Edited by admin on Wed Apr 02 20:29:05 GMT 2025

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CAS

2052279-49-7

Created by admin on Wed Apr 02 20:29:05 GMT 2025 , Edited by admin on Wed Apr 02 20:29:05 GMT 2025

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