(3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-oxo-1-piperidinepropanenitrile

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H22FN7O2
Molecular Weight	471.4863
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-oxo-1-piperidinepropanenitrile

Structure Search

SMILES

NC1=NC=NC2=C1C(=NN2[C@@H]3CCCN(C3)C(=O)CC#N)C4=CC=C(OC5=CC=CC=C5)C=C4F

InChI

InChIKey=WBJTUWMHTMJTMM-MRXNPFEDSA-N

InChI=1S/C25H22FN7O2/c26-20-13-18(35-17-6-2-1-3-7-17)8-9-19(20)23-22-24(28)29-15-30-25(22)33(31-23)16-5-4-12-32(14-16)21(34)10-11-27/h1-3,6-9,13,15-16H,4-5,10,12,14H2,(H2,28,29,30)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H22FN7O2
Molecular Weight	471.4863
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 19:48:47 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:47 GMT 2025`
Record UNII	RMP7WJ5CQV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-oxo-1-piperidinepropanenitrile

Systematic Name

English

1-Piperidinepropanenitrile, 3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-oxo-, (3R)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

86714498

Created by admin on Wed Apr 02 19:48:47 GMT 2025 , Edited by admin on Wed Apr 02 19:48:47 GMT 2025

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FDA UNII

RMP7WJ5CQV

Created by admin on Wed Apr 02 19:48:47 GMT 2025 , Edited by admin on Wed Apr 02 19:48:47 GMT 2025

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CAS

1414356-84-5

Created by admin on Wed Apr 02 19:48:47 GMT 2025 , Edited by admin on Wed Apr 02 19:48:47 GMT 2025

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