TEQ
Summary
| Name: | 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine |
| Synonyms: | 5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine |
| Formula: | C21 H19 F N6 |
| Formal charge: | 0 |
| Formula weight: | 374.414 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | WSRZNMRSHUJOED-RBUKOAKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncccc1[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5nc(N)ccc45 |
| SMILES | CACTVS | 3.385 | Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)C2CC(Nc3n2ncc3F)c4cccc5c4ccc(n5)N |
