Tofacitinib
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
Also Known As: Tofacitinib|Tasocitinib|rac-Tofacitinib|tofacitinibum|Xeljanz|Tofacitinib citrate|Tofactinib|Tedalinab|Tofacitinib?|racemic-tofacitinib|racemic-Tasocitinib|Tofacitinib Base|Cp-690 free base|3eyg|3fup|3lxk|4oti|Tofacitinib [USAN]|Xeljanz (TN)|CP 690550|Tofacitinib (USAN)|(+)-TOFACITINIB|Tofacitinib (Standard)|3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile|Tofacitinib [USAN:INN]|TOFACITINIB [MI]|TOFACITINIB [INN]|TOFACITINIB [VANDF]|JAK inhibitors: tofacitinib|Tofacitinib (CP-690550)|CP-690550 FREE BASE|Tofacitinib (CP-690550,Tasocitinib)|TOFACITINIB [WHO-DD]|cc-396|CP-690550(Tasocitinib)|CP-690,550 FREE BASE|CP-690,550
| Molecular Formula | C16H20N6O |
|---|---|
| Molecular Weight | 312.16986 g/mol |
| LogP | 1.54478 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.16986 |
| Monoisotopic Mass | 312.16986 |
| Heavy Atoms | 23 |
| Complexity | 748.3536 |
Chemical Identifiers
| CAS Number | 937669-80-2 |
|---|---|
| SMILES | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N |
Product Overview
Tofacitinib (CAS 937669-80-2), with molecular formula C16H20N6O and molecular weight 312.16986 g/mol. IUPAC: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile.
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