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Details

Stereochemistry EPIMERIC
Molecular Formula C17H16N6O
Molecular Weight 320.3485
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INCB-25255

SMILES

O=C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=DBJFGIPGWLPPQS-JOPIAHFSSA-N
InChI=1S/C17H16N6O/c18-5-3-15(11-1-2-13(24)7-11)23-9-12(8-22-23)16-14-4-6-19-17(14)21-10-20-16/h4,6,8-11,15H,1-3,7H2,(H,19,20,21)/t11?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16N6O
Molecular Weight 320.3485
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 17 13:17:32 UTC 2022
Edited
by admin
on Sat Dec 17 13:17:32 UTC 2022
Record UNII
38H7H33E44
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INCB-25255
Common Name English
(3R)-3-(3-OXOCYCLOPENTYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE
Systematic Name English
1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-(3-OXOCYCLOPENTYL)-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-
Systematic Name English
RUXOLITINIB METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
38H7H33E44
Created by admin on Sat Dec 17 13:17:32 UTC 2022 , Edited by admin on Sat Dec 17 13:17:32 UTC 2022
PRIMARY
PUBCHEM
73425521
Created by admin on Sat Dec 17 13:17:32 UTC 2022 , Edited by admin on Sat Dec 17 13:17:32 UTC 2022
PRIMARY
CAS
1092973-96-0
Created by admin on Sat Dec 17 13:17:32 UTC 2022 , Edited by admin on Sat Dec 17 13:17:32 UTC 2022
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE