A1JLH
Summary
| Name: | ~{N}-[(6-fluoranyl-1-methyl-indazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide |
| Formula: | C22 H24 F N7 O3 S |
| Formal charge: | 0 |
| Formula weight: | 485.534 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(6-fluoranyl-1-methyl-indazol-7-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/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27) |
| InChIKey | InChI | 1.06 | KGOKNBFOEPMZIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2ccc(F)c(CNC(=O)c3cc(c(C)n3C)[S](=O)(=O)N4CCc5[nH]ncc5C4)c12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2ccc(F)c(CNC(=O)c3cc(c(C)n3C)[S](=O)(=O)N4CCc5[nH]ncc5C4)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(n1C)C(=O)NCc2c(ccc3c2n(nc3)C)F)S(=O)(=O)N4CCc5c(cn[nH]5)C4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(n1C)C(=O)NCc2c(ccc3c2n(nc3)C)F)S(=O)(=O)N4CCc5c(cn[nH]5)C4 |
