IUPAC Name: | N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Description: | One of the impurities of Tofacitinib, which is a Janus kinase inhibitor and could be used against rheumatoid arthritis. |
Molecular Weight: | 335.45 |
Molecular Formula: | C20H25N5 |
Canonical SMILES: | CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=CC=C4 |
InChI: | InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m1/s1 |
InChI Key: | UMWNXPTXDOVDFE-QAPCUYQASA-N |
Purity: | 95% by HPLC |
LogP: | 3.24260 |
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Related Functional Groups
Piperidines
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
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