XSU
Summary
| Name: | (4R)-7-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Formula: | C27 H33 N7 O5 |
| Formal charge: | 0 |
| Formula weight: | 535.595 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-7-[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 7-[[2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridin-4-yl]carbonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]carbonyl]-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NN=C2CN(CCN21)C(=O)N1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C27H33N7O5/c35-25(19-9-22(18-1-2-18)28-24(10-19)39-16-17-3-7-38-8-4-17)32-11-20-13-33(14-21(20)12-32)27(37)31-5-6-34-23(15-31)29-30-26(34)36/h9-10,17-18H,1-8,11-16H2,(H,30,36) |
| InChIKey | InChI | 1.06 | CZWMMPQDGTYEQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NN=C2CN(CCN12)C(=O)N3CC4=C(C3)CN(C4)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7 |
| SMILES | CACTVS | 3.385 | O=C1NN=C2CN(CCN12)C(=O)N3CC4=C(C3)CN(C4)C(=O)c5cc(OCC6CCOCC6)nc(c5)C7CC7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCN7C(=NNC7=O)C6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(nc1C2CC2)OCC3CCOCC3)C(=O)N4CC5=C(C4)CN(C5)C(=O)N6CCN7C(=NNC7=O)C6 |
