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Details

Stereochemistry UNKNOWN
Molecular Formula C17H18N6O
Molecular Weight 322.3644
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INCB-25257

SMILES

OC1CC[C@@H](C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=PEDGDCYQFZPRCX-ABIUDSBCSA-N
InChI=1S/C17H18N6O/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/h4,6,8-11,13,15,24H,1-3,7H2,(H,19,20,21)/t11?,13?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H18N6O
Molecular Weight 322.3644
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:57:10 GMT 2023
Edited
by admin
on Sat Dec 16 01:57:10 GMT 2023
Record UNII
B1922C0D1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INCB-25257
Common Name English
(3R)-3-(3-HYDROXYCYCLOPENTYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE
Systematic Name English
RUXOLITINIB METABOLITE M7
Common Name English
1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-(3-HYDROXYCYCLOPENTYL)-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-
Systematic Name English
Code System Code Type Description
CAS
1092973-94-8
Created by admin on Sat Dec 16 01:57:10 GMT 2023 , Edited by admin on Sat Dec 16 01:57:10 GMT 2023
PRIMARY
PUBCHEM
73425520
Created by admin on Sat Dec 16 01:57:10 GMT 2023 , Edited by admin on Sat Dec 16 01:57:10 GMT 2023
PRIMARY
FDA UNII
B1922C0D1F
Created by admin on Sat Dec 16 01:57:10 GMT 2023 , Edited by admin on Sat Dec 16 01:57:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE