JCW
Summary
| Name: | 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide |
| Formula: | C17 H17 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 312.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17FN4O/c18-16-13(15-6-9(17(19)23)3-4-20-15)5-10(8-21-16)12-7-11-1-2-14(12)22-11/h3-6,8,11-12,14,22H,1-2,7H2,(H2,19,23)/t11-,12+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | FQBYLVVJPBRDCG-OUCADQQQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccnc(c1)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccnc(c1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4 |
