3-(4-Methyl-3-(methyl(6-oxo-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, (3R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N6O2
Molecular Weight	328.369
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-Methyl-3-(methyl(6-oxo-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, (3R,4R)-

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=C3CC(=O)NC3=NC=N2)C(=O)CC#N

InChI

InChIKey=FIQMDRYZOUHVEZ-PWSUYJOCSA-N

InChI=1S/C16H20N6O2/c1-10-4-6-22(14(24)3-5-17)8-12(10)21(2)16-11-7-13(23)20-15(11)18-9-19-16/h9-10,12H,3-4,6-8H2,1-2H3,(H,18,19,20,23)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H20N6O2
Molecular Weight	328.369
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:00:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:00:40 GMT 2025`
Record UNII	X9750OU426
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-Methyl-3-(methyl(6-oxo-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, (3R,4R)-

Systematic Name

English

TOFACITINIB METABOLITE M9

Preferred Name

English

3-((3R,4R)-4-METHYL-3-(METHYL(6-OXO-6,7- DIHYDRO-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3- OXOPROPANENITRILE

Systematic Name

English

3-((3R,4R)-3-((6-Hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile

Systematic Name

English

1-PIPERIDINEPROPANENITRILE, 3-((6,7-DIHYDRO-6-OXO-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)METHYLAMINO)-4-METHYL-.BETA.-OXO-

Systematic Name

English

3-(4-METHYL-3-(METHYL(6-OXO-6,7-DIHYDRO-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANENITRILE

Systematic Name

English

Code System Code Type Description

CAS

1269823-96-2

Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

1640971-51-2

Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025

PRIMARY

FDA UNII

X9750OU426

Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025

PRIMARY

PUBCHEM

67965296

Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025

PRIMARY

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