8X2
Summary
| Name: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
| Formula: | C22 H25 N7 O |
| Formal charge: | 0 |
| Formula weight: | 403.48 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H25N7O/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)25-22-24-9-7-19(27-22)20-14-17-18(26-20)6-8-23-21(17)30/h2-5,7,9,14,26H,6,8,10-13H2,1H3,(H,23,30)(H,24,25,27) |
| InChIKey | InChI | 1.03 | HOUKCOGYXHMATN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O |
