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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

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

Molecular Formula C17H20N6O2
Molecular Weight 340.3797
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:04:17 GMT 2023
Edited
by admin
on Sat Dec 16 15:04:17 GMT 2023
Record UNII
Q2NX38BMM6
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
PARENT -> METABOLITE