A1IED
Summary
| Name: | 6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide |
| Formula: | C22 H21 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 419.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H21N5O4/c23-20(29)17-3-1-2-16(25-17)18-11-19(31-27-18)15-10-12-8-9-24-21(12)26-22(15)30-14-6-4-13(28)5-7-14/h1-3,8-11,13-14,28H,4-7H2,(H2,23,29)(H,24,26) |
| InChIKey | InChI | 1.06 | HLYKWNVFHAYDMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc(n1)c2cc(on2)c3cc4cc[nH]c4nc3O[C@H]5CC[C@@H](O)CC5 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cccc(n1)c2cc(on2)c3cc4cc[nH]c4nc3O[CH]5CC[CH](O)CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)N)c2cc(on2)c3cc4cc[nH]c4nc3OC5CCC(CC5)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)N)c2cc(on2)c3cc4cc[nH]c4nc3OC5CCC(CC5)O |
