(3R)-3-CYCLOPENTYL-3-(4-(2-HYDROXY-6-OXO-2,3,5,7-TETRAHYDROPYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H20N6O2
Molecular Weight	340.3797
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R)-3-CYCLOPENTYL-3-(4-(2-HYDROXY-6-OXO-2,3,5,7-TETRAHYDROPYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE

Structure Search

SMILES

OC1NC(C2=CN(N=C2)[C@H](CC#N)C3CCCC3)=C4CC(=O)NC4=N1

InChI

InChIKey=LAYBKCQPGSEBPV-FWJOYPJLSA-N

InChI=1S/C17H20N6O2/c18-6-5-13(10-3-1-2-4-10)23-9-11(8-19-23)15-12-7-14(24)20-16(12)22-17(25)21-15/h8-10,13,17,21,25H,1-5,7H2,(H,20,22,24)/t13-,17?/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3R)-3-CYCLOPENTYL-3-(4-(2-HYDROXY-6-OXO-2,3,5,7-TETRAHYDROPYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE

Systematic Name

English

RUXOLITINIB METABOLITE M49

Common Name

English

Code System Code Type Description

PUBCHEM

165411999

Created by admin on Sat Dec 16 15:04:18 GMT 2023 , Edited by admin on Sat Dec 16 15:04:18 GMT 2023

PRIMARY

FDA UNII

Q2NX38BMM6

Created by admin on Sat Dec 16 15:04:18 GMT 2023 , Edited by admin on Sat Dec 16 15:04:18 GMT 2023

PRIMARY

PARENT (METABOLITE)


					82S8X8XX8H

RUXOLITINIB

SUBSTANCE RECORD


					Q2NX38BMM6

(3R)-3-CYCLOPENTYL-3-(4-(2-HYDROXY-6-OXO-2,3,5,7-TETRAHYDROPYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE