JRI
Summary
| Name: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
| Formula: | C20 H22 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 383.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1 |
| InChIKey | InChI | 1.06 | BLEGXEJTJXNGSC-GMLZMKKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(C[C@@H](O1)C(=O)N[C@H]2CNC[C@H]2F)c3ccc(C#N)c4ncccc34 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(C[C@@H](O1)C(=O)N[C@H]2CNC[C@H]2F)c3ccc(c4c3cccn4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(O1)C(=O)NC2CNCC2F)c3ccc(c4c3cccn4)C#N |
