INCB-25257

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 Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 01:57:10 UTC 2023`
Record UNII	B1922C0D1F
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 01:57:10 UTC 2023

PRIMARY

PUBCHEM

73425520

Created by admin on Sat Dec 16 01:57:10 UTC 2023 , Edited by admin on Sat Dec 16 01:57:10 UTC 2023

PRIMARY

FDA UNII

B1922C0D1F

Created by admin on Sat Dec 16 01:57:10 UTC 2023 , Edited by admin on Sat Dec 16 01:57:10 UTC 2023

PRIMARY

Related Record Type Details


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RUXOLITINIB

PARENT -> METABOLITE