X6R
Summary
| Name: | 6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine |
| Formula: | C16 H11 F N4 |
| Formal charge: | 0 |
| Formula weight: | 278.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine |
| OpenEye OEToolkits | 2.0.7 | 6-fluoranyl-3-pyrrolo[2,3-c]pyridin-1-yl-isoquinolin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2 |
| InChIKey | InChI | 1.06 | KAXAUWZJVWGFDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(F)ccc2cnc(cc12)n3ccc4ccncc34 |
| SMILES | CACTVS | 3.385 | Nc1c(F)ccc2cnc(cc12)n3ccc4ccncc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1cnc(c2)n3ccc4c3cncc4)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1cnc(c2)n3ccc4c3cncc4)N)F |
