FKY
Summary
| Name: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide |
| Formula: | C24 H23 F4 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 521.464 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 2-[(3~{R},4~{S})-3-fluoranyl-1-[2-[4-(trifluoromethyloxy)phenyl]ethanoyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1n(C)cnc1c2cc(c(nc2)OC4C(CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC4)F)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 |
| InChIKey | InChI | 1.03 | XJIIVPVOGYFVME-QUCCMNQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c1)c2cnc(O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cn1cnc(c1)c2cnc(O[CH]3CCN(C[CH]3F)C(=O)Cc4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(nc1)c2cc(c(nc2)OC3CCN(CC3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N |
