WX6
Summary
| Name: | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone |
| Formula: | C13 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | azepan-1-yl-(2-oxidanyl-3~{H}-imidazo[4,5-b]pyridin-7-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19) |
| InChIKey | InChI | 1.06 | VRIFLYXZFJUMPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1[nH]c2nccc(C(=O)N3CCCCCC3)c2n1 |
| SMILES | CACTVS | 3.385 | Oc1[nH]c2nccc(C(=O)N3CCCCCC3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc2c(c1C(=O)N3CCCCCC3)nc([nH]2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc2c(c1C(=O)N3CCCCCC3)nc([nH]2)O |
