9X2
Summary
| Name: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide |
| Formula: | C26 H33 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 491.585 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H33N7O3/c34-24(21-6-3-9-27-21)30-16-17-7-12-33(13-8-17)26(36)32-23-22(28-10-11-29-23)25(35)31-20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,10-11,17,20-21,27H,3,6-9,12-16H2,(H,30,34)(H,31,35)(H,29,32,36)/t21-/m0/s1 |
| InChIKey | InChI | 1.06 | QNPSQJVBCHAUGT-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[C@@H]5CCCN5 |
| SMILES | CACTVS | 3.385 | O=C(NCC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)C5CCCN5 |
