D6Q
Summary
| Name: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide |
| Formula: | C23 H19 F5 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 522.427 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H19F5N6O3/c24-14-1-2-15-17(18(14)25)22(21(37)34(15)10-16(35)30-11-23(26,27)28)3-5-33(6-4-22)20(36)13-7-12-9-31-32-19(12)29-8-13/h1-2,7-9H,3-6,10-11H2,(H,30,35)(H,29,31,32) |
| InChIKey | InChI | 1.03 | IJPAFYMYOCLEBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c4cnc5[nH]ncc5c4)c2c1F |
| SMILES | CACTVS | 3.385 | Fc1ccc2N(CC(=O)NCC(F)(F)F)C(=O)C3(CCN(CC3)C(=O)c4cnc5[nH]ncc5c4)c2c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F |
