WFQ
Summary
| Name: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide |
| Formula: | C23 H25 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 447.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-~{N}-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cn2ncc(NC(=O)c3cn4cc(nc4nc3OC(C)C)C34CC(C)(C3)OC4)c2nc1 |
| InChI | InChI | 1.06 | InChI=1S/C23H25N7O3/c1-13(2)33-20-15(19(31)26-16-6-25-30-7-14(3)5-24-18(16)30)8-29-9-17(27-21(29)28-20)23-10-22(4,11-23)32-12-23/h5-9,13H,10-12H2,1-4H3,(H,26,31)/t22-,23- |
| InChIKey | InChI | 1.06 | DEQCXGYERMCXNL-YHBQERECSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1nc2nc(cn2cc1C(=O)Nc3cnn4cc(C)cnc34)C56COC(C)(C5)C6 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1nc2nc(cn2cc1C(=O)Nc3cnn4cc(C)cnc34)C56COC(C)(C5)C6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc2c(cnn2c1)NC(=O)c3cn4cc(nc4nc3OC(C)C)C56CC(C5)(OC6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc2c(cnn2c1)NC(=O)c3cn4cc(nc4nc3OC(C)C)C56CC(C5)(OC6)C |
