A1IIK
Summary
| Name: | 4-[(3~{R})-3-(cyclobutylmethylamino)piperidin-1-yl]-1-[(1~{R})-1-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]ethyl]pyridin-2-one |
| Formula: | C25 H33 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 463.575 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{R})-3-(cyclobutylmethylamino)piperidin-1-yl]-1-[(1~{R})-1-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]ethyl]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H33N7O2/c1-18(32-17-24(28-29-32)20-11-23(34-2)15-26-14-20)31-10-8-22(12-25(31)33)30-9-4-7-21(16-30)27-13-19-5-3-6-19/h8,10-12,14-15,17-19,21,27H,3-7,9,13,16H2,1-2H3/t18-,21-/m1/s1 |
| InChIKey | InChI | 1.06 | BLQHZTVKQVIIIR-WIYYLYMNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cncc(c1)c2cn(nn2)[C@H](C)N3C=CC(=CC3=O)N4CCC[C@H](C4)NCC5CCC5 |
| SMILES | CACTVS | 3.385 | COc1cncc(c1)c2cn(nn2)[CH](C)N3C=CC(=CC3=O)N4CCC[CH](C4)NCC5CCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](n1cc(nn1)c2cc(cnc2)OC)N3C=CC(=CC3=O)N4CCC[C@H](C4)NCC5CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(n1cc(nn1)c2cc(cnc2)OC)N3C=CC(=CC3=O)N4CCCC(C4)NCC5CCC5 |
