54N
Summary
| Name: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one |
| Formula: | C25 H25 F N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 460.503 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2~{H}-pyrido[3,4-d]pyridazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H25FN6O2/c1-14-16(5-4-15(30-14)13-32(2)3)19-11-28-24(20-12-29-31-25(33)23(19)20)27-10-18-17-8-9-34-22(17)7-6-21(18)26/h4-7,11-12H,8-10,13H2,1-3H3,(H,27,28)(H,31,33) |
| InChIKey | InChI | 1.03 | TZPONVRYLBDEBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)c5C=NNC(=O)c25 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)c5C=NNC(=O)c25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F |
