A1I4E
Summary
| Name: | (3~{R})-~{N}-(cyclobutylmethyl)-1-[6-[3-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]oxetan-3-yl]pyridin-3-yl]piperidin-3-amine |
| Formula: | C26 H33 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 475.586 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-(cyclobutylmethyl)-1-[6-[3-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]oxetan-3-yl]pyridin-3-yl]piperidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H33N7O2/c1-34-23-10-20(12-27-14-23)24-16-33(31-30-24)26(17-35-18-26)25-8-7-22(13-29-25)32-9-3-6-21(15-32)28-11-19-4-2-5-19/h7-8,10,12-14,16,19,21,28H,2-6,9,11,15,17-18H2,1H3/t21-/m1/s1 |
| InChIKey | InChI | 1.06 | FJZJIETWMIFSNE-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cncc(c1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCC[C@H](C5)NCC6CCC6 |
| SMILES | CACTVS | 3.385 | COc1cncc(c1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCC[CH](C5)NCC6CCC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cnc1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCC[C@H](C5)NCC6CCC6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cnc1)c2cn(nn2)C3(COC3)c4ccc(cn4)N5CCCC(C5)NCC6CCC6 |
