3-Amino-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carbonyl)-5-oxopent-2-enenitrile

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H40N12O2
Molecular Weight	624.7392
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Amino-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carbonyl)-5-oxopent-2-enenitrile

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)C\C(N)=C(/C#N)C(=O)N4CC[C@@H](C)[C@H](C4)N(C)C5=C6C=CNC6=NC=N5

InChI

InChIKey=LYZCSMRTJYYFRZ-FMLYBTERSA-N

InChI=1S/C32H40N12O2/c1-19-7-11-43(15-25(19)41(3)30-21-5-9-35-28(21)37-17-39-30)27(45)13-24(34)23(14-33)32(46)44-12-8-20(2)26(16-44)42(4)31-22-6-10-36-29(22)38-18-40-31/h5-6,9-10,17-20,25-26H,7-8,11-13,15-16,34H2,1-4H3,(H,35,37,39)(H,36,38,40)/b24-23-/t19-,20-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H40N12O2
Molecular Weight	624.7392
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:33:24 GMT 2025` Edited by `admin` on `Wed Apr 02 20:33:24 GMT 2025`
Record UNII	Y59ENQ9K3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Amino-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carbonyl)-5-oxopent-2-enenitrile

Systematic Name

English

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

Preferred Name

English

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

Systematic Name

English

(Z)-3-Amino-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carbonyl)-5-oxopent-2-enenitrile

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

Y59ENQ9K3Z

Created by admin on Wed Apr 02 20:33:24 GMT 2025 , Edited by admin on Wed Apr 02 20:33:24 GMT 2025

PRIMARY

PUBCHEM

170904958

Created by admin on Wed Apr 02 20:33:24 GMT 2025 , Edited by admin on Wed Apr 02 20:33:24 GMT 2025

PRIMARY

CAS

2102040-00-4

Created by admin on Wed Apr 02 20:33:24 GMT 2025 , Edited by admin on Wed Apr 02 20:33:24 GMT 2025

ALTERNATIVE

CAS

2382711-65-9

Created by admin on Wed Apr 02 20:33:24 GMT 2025 , Edited by admin on Wed Apr 02 20:33:24 GMT 2025

PRIMARY