WXH
Summary
| Name: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide |
| Formula: | C19 H17 F3 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 406.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(1,2,3,6-tetrahydropyridin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27) |
| InChIKey | InChI | 1.06 | BEWNDCDAXDFYBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1scc(c1)c2cnc3[nH]c(cc3c2)C4=CCCNC4 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1scc(c1)c2cnc3[nH]c(cc3c2)C4=CCCNC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2cc([nH]c2ncc1c3cc(sc3)C(=O)NCC(F)(F)F)C4=CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc([nH]c2ncc1c3cc(sc3)C(=O)NCC(F)(F)F)C4=CCCNC4 |
