C6I
Summary
| Name: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one |
| Formula: | C13 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 249.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16FN3O/c14-12-11-8(6-10(15)16-12)7-17(13(11)18)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H2,15,16) |
| InChIKey | InChI | 1.06 | SMGICYCLIWZBPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc2CN(C3CCCCC3)C(=O)c2c(F)n1 |
| SMILES | CACTVS | 3.385 | Nc1cc2CN(C3CCCCC3)C(=O)c2c(F)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c(nc1N)F)C(=O)N(C2)C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c(nc1N)F)C(=O)N(C2)C3CCCCC3 |
