7YT
Summary
| Name: | N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide |
| Synonyms: | N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide |
| Formula: | C20 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 363.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(4~{R})-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | IJKUAZSSMFHECB-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4cccnc4C3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4cccnc4C3)C |
