Account 3-((3R,4R)-3-((6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
- Catalog No. :
- ACQRXO174
- CAS No. :
- 1640972-35-5
- Molecular Formula :
- C16H22N6O
- Molecular Weight :
- 314.39
IUPAC Name:3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
![3-((3R,4R)-3-((6,7-Dihydro-5H-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-((6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile |
|---|---|
| IUPAC Name | 3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile |
| Molecular Formula | C16H22N6O |
| Molecular Weight | 314.39 |
| SMILES | N(C)(C1=C2C(NCC2)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C |
| InChI Key | PEURVXMHTIUQCG-YPMHNXCESA-N |
| Synonym | N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;Tofacitinib-21;Tofacitinib impurity 14/5,6-Dihydro Tofacitinib/3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile;Tofacitinib impurity 15/5,6-Dihydro Tofacitinib Citrate/3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate;Tofacitinib Impurity 39;5,6-Dihydro CP-690550;3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile;Tofacitinib Related Compound 21 |
| CAS No. | 1640972-35-5 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACQRXO174 Molecular Building Block Synthetic Route
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
N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride