IER
Summary
| Name: | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol |
| Synonyms: | A156 |
| Formula: | C28 H26 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 483.537 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H26FN5O2/c1-3-36-21-13-20(16-7-5-4-6-8-16)32-23-18(21)9-10-19(22(23)29)24-25-26(30)31-11-12-34(25)27(33-24)17-14-28(2,35)15-17/h4-13,17,35H,3,14-15H2,1-2H3,(H2,30,31)/t17-,28+ |
| InChIKey | InChI | 1.06 | TVXAIWDTRFFVCZ-OOTKOPMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(nc2c(F)c(ccc12)c3nc([C@@H]4C[C@](C)(O)C4)n5ccnc(N)c35)c6ccccc6 |
| SMILES | CACTVS | 3.385 | CCOc1cc(nc2c(F)c(ccc12)c3nc([CH]4C[C](C)(O)C4)n5ccnc(N)c35)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(nc2c1ccc(c2F)c3c4c(nccn4c(n3)C5CC(C5)(C)O)N)c6ccccc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(nc2c1ccc(c2F)c3c4c(nccn4c(n3)C5CC(C5)(C)O)N)c6ccccc6 |
