3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H22N6O2
Molecular Weight	330.3849
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanamide

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC(N)=O

InChI

InChIKey=CRDMXSMPTHMXRD-PWSUYJOCSA-N

InChI=1S/C16H22N6O2/c1-10-4-6-22(14(24)7-13(17)23)8-12(10)21(2)16-11-3-5-18-15(11)19-9-20-16/h3,5,9-10,12H,4,6-8H2,1-2H3,(H2,17,23)(H,18,19,20)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H22N6O2
Molecular Weight	330.3849
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 `Wed Apr 02 17:51:35 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:35 GMT 2025`
Record UNII	PT8DR2MS4E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanamide

Systematic Name

English

Tofacitinib impurity L

Preferred Name

English

1-Piperidinepropanamide, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-, (3R,4R)-

Systematic Name

English

(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

78358280

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

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CAS

1675248-19-7

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

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FDA UNII

PT8DR2MS4E

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

PRIMARY