A1ESX
Summary
| Name: | ~{N}-[1-methyl-3-[2-[[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]indol-6-yl]propanamide |
| Formula: | C26 H32 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 488.585 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1-methyl-3-[2-[[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]indol-6-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H32N8O2/c1-4-25(35)28-19-5-6-20-21(16-32(3)24(20)15-19)22-7-8-27-26(29-22)30-23-17-34(31-18(23)2)10-9-33-11-13-36-14-12-33/h5-8,15-17H,4,9-14H2,1-3H3,(H,28,35)(H,27,29,30) |
| InChIKey | InChI | 1.06 | HEPYHADDIOGQQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc2c(c1)n(C)cc2c3ccnc(Nc4cn(CCN5CCOCC5)nc4C)n3 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc2c(c1)n(C)cc2c3ccnc(Nc4cn(CCN5CCOCC5)nc4C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc2c(c1)n(cc2c3ccnc(n3)Nc4cn(nc4C)CCN5CCOCC5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc2c(c1)n(cc2c3ccnc(n3)Nc4cn(nc4C)CCN5CCOCC5)C |
