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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21N7O2
Molecular Weight	379.4157
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3C(=O)CC#N)C(=O)CC#N

InChI

InChIKey=LAZWNGPGVVGBJZ-HIFRSBDPSA-N

InChI=1S/C19H21N7O2/c1-13-5-9-25(16(27)3-7-20)11-15(13)24(2)18-14-6-10-26(17(28)4-8-21)19(14)23-12-22-18/h6,10,12-13,15H,3-5,9,11H2,1-2H3/t13-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H21N7O2
Molecular Weight	379.4157
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 19:09:41 GMT 2025` Edited by `admin` on `Wed Apr 02 19:09:41 GMT 2025`
Record UNII	V3GM9K9YRR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyanoacetyl Tofacitinib

Preferred Name

English

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

Systematic Name

English

7H-Pyrrolo[2,3-d]pyrimidine-7-propanenitrile, 4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methyl-3-piperidinyl]methylamino]-?-oxo-

Systematic Name

English

4-[[(3R,4R)-1-(2-Cyanoacetyl)-4-methyl-3-piperidinyl]methylamino]-?-oxo-7H-pyrrolo[2,3-d]pyrimidine-7-propanenitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

V3GM9K9YRR

Created by admin on Wed Apr 02 19:09:41 GMT 2025 , Edited by admin on Wed Apr 02 19:09:41 GMT 2025

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CAS

2459302-77-1

Created by admin on Wed Apr 02 19:09:41 GMT 2025 , Edited by admin on Wed Apr 02 19:09:41 GMT 2025

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PUBCHEM

91810733

Created by admin on Wed Apr 02 19:09:41 GMT 2025 , Edited by admin on Wed Apr 02 19:09:41 GMT 2025

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