Account BTK-IN-20
- Catalog No. :
- ACMISF255
- CAS No. :
- 1581714-50-2
- Molecular Formula :
- C30H30FN7O2
- Molecular Weight :
- 539.61
IUPAC Name:(R,Z)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile
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Product Information
| Product Name | BTK-IN-20 |
|---|---|
| IUPAC Name | (R,Z)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile |
| Molecular Formula | C30H30FN7O2 |
| Molecular Weight | 539.61 |
| SMILES | CC(C)(C)/C=C(C(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3F)C5=C(N)N=CN=C52)CCC1)=O)/C#N |
| InChI Key | KZMQPYCXSAGLTB-RMWKRFJVSA-N |
| Synonym | (αZ,3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-α-(2,2-dimethylpropylidene)-β-oxo-1-piperidinepropanenitrile |
| CAS No. | 1581714-50-2 |
Synthetic Route by SureRoute
2. ACMISF255 Molecular Building Block Synthetic Route
(R,E)-2-(3-(4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile
(R,E)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile
(R)-2-(3-(4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile