F9M
Summary
| Name: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
| Formula: | C25 H23 F3 N8 O S2 |
| Formal charge: | 0 |
| Formula weight: | 572.628 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ |
| InChIKey | InChI | 1.06 | JARXMNZSCUFQHX-HDICACEKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[C@H]5CC[C@@H]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 |
| SMILES | CACTVS | 3.385 | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4[C@@H]5CC[C@H]4CN(C5)c6ncc(cn6)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4C5CCC4CN(C5)c6ncc(cn6)C(F)(F)F |
