A1JDR
Summary
| Name: | ~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide |
| Formula: | C25 H30 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 462.544 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H30N6O3/c1-16-12-18(6-9-26-16)31-10-7-20(29-31)23(32)27-22-13-17-15-30(11-8-24(2,3)33)28-21(17)14-19(22)25(4,5)34/h6-7,9-10,12-15,33-34H,8,11H2,1-5H3,(H,27,32) |
| InChIKey | InChI | 1.06 | UEHXLNPSBLCBAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O |
| SMILES | CACTVS | 3.385 | Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(nc4cc3C(C)(C)O)CCC(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(nc4cc3C(C)(C)O)CCC(C)(C)O |
