YDT
Summary
| Name: | N-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide |
| Formula: | C22 H22 F N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 471.505 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22FN5O4S/c1-13-21(33(30,31)28-7-5-18-14(12-28)10-25-26-18)9-19(27(13)2)22(29)24-11-16-15-6-8-32-20(15)4-3-17(16)23/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,24,29)(H,25,26) |
| InChIKey | InChI | 1.06 | YVXDXTXKLFZFOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3occc23)[S](=O)(=O)N4CCc5[nH]ncc5C4 |
| SMILES | CACTVS | 3.385 | Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3occc23)[S](=O)(=O)N4CCc5[nH]ncc5C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(n1C)C(=O)NCc2c3ccoc3ccc2F)S(=O)(=O)N4CCc5c(cn[nH]5)C4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(n1C)C(=O)NCc2c3ccoc3ccc2F)S(=O)(=O)N4CCc5c(cn[nH]5)C4 |
