Account 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
- Catalog No. :
- ACULGD758
- CAS No. :
- 1616761-00-2
- Molecular Formula :
- C16H19ClN6O
- Molecular Weight :
- 346.82
IUPAC Name:3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
![3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile |
|---|---|
| IUPAC Name | 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile |
| MDL No. | MFCD26967971 |
| Molecular Formula | C16H19ClN6O |
| Molecular Weight | 346.82 |
| SMILES | C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C1=NC(Cl)=NC2=C1C=CN2 |
| InChI Key | PBBKAMYFZVSJCI-PWSUYJOCSA-N |
| Synonym | Tofacitinib Impurity 8;3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl);Tofacitinib-20;Tofacitinib Impurity YT;Tofacitinib impurity PF-05087352;Tofacitinib impurity 13/3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile;1-Piperidinepropanenitrile, 3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-, (3R,4R)-;3-[3-[(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile |
| CAS No. | 1616761-00-2 |
Synthetic Route by SureRoute
2. ACULGD758 Molecular Building Block Synthetic Route
3-((3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
3-((3R,4S)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile