A1CSG
Summary
| Name: | 5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
| Formula: | C25 H34 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 478.59 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(3~{S})-3-(3-methyl-2-oxidanylidene-imidazolidin-1-yl)piperidin-1-yl]-3-[(4-piperidin-4-ylphenyl)amino]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCC(C1)N1CCN(C)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | JCGXVYWABUYORV-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN([C@H]2CCCN(C2)c3cnc(C(N)=O)c(Nc4ccc(cc4)C5CCNCC5)n3)C1=O |
| SMILES | CACTVS | 3.385 | CN1CCN([CH]2CCCN(C2)c3cnc(C(N)=O)c(Nc4ccc(cc4)C5CCNCC5)n3)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCN(C1=O)[C@H]2CCCN(C2)c3cnc(c(n3)Nc4ccc(cc4)C5CCNCC5)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCN(C1=O)C2CCCN(C2)c3cnc(c(n3)Nc4ccc(cc4)C5CCNCC5)C(=O)N |
