KRK
Summary
| Name: | 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine |
| Formula: | C14 H13 F N6 |
| Formal charge: | 0 |
| Formula weight: | 284.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | CTKSUQYBSSCMMB-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | F[C@H]1CCN(C1)c2nccc(n2)c3cnn4ncccc34 |
| SMILES | CACTVS | 3.385 | F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cnn2nc1)c3ccnc(n3)N4CCC(C4)F |
