1. Primary Information
| English name: | JNJ-63576253 HCl |
| CAS No.: | 2110428-64-1 |
| Molecular formula: | C23H22ClF3N6O2S |
| Molecular weight: | 539.0 g/mol |
| SMILES: | C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F.Cl |
| Structural class: | |
| Other identifiers: |
5-(8-Oxo-5-(6-(piperidin-4-yloxy)pyridin-3-yl)-6-thioxo-5,7-diazaspiro(3.4)octan-7-yl)-3-(trifluoromethyl)-picolinonitrile JNJ-63576253 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 512 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 832 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 3712 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-[8-oxo-5-(6-piperidin-4-yloxypyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;hydrochloride
4.2 InChI
InChI=1S/C23H21F3N6O2S.ClH/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16;/h2-3,10,12-13,16,28H,1,4-9H2;1H
4.3 InChIKey
QDINJYHLAKIZLE-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F.Cl
4.5 Isomeric SMILES
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