GOD
Summary
| Name: | 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide |
| Formula: | C20 H19 F5 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 474.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 6-azanyl-5-[(3~{S})-4,4-bis(fluoranyl)-1-[2-[4-(trifluoromethyloxy)phenyl]ethanoyl]pyrrolidin-3-yl]oxy-~{N}-methyl-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(cc(OC2C(F)(CN(C(=O)Cc1ccc(cc1)OC(F)(F)F)C2)F)c(N)n3)C(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | FTAFQADCGCSJAH-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cnc(N)c(O[CH]2CN(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cc(c(nc1)N)OC2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F |
