NZX
Summary
| Name: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
| Synonyms: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor) |
| Formula: | C27 H35 N5 O |
| Formal charge: | 0 |
| Formula weight: | 445.6 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H35N5O/c1-4-23(33)31-15-27(16-31)12-20(13-27)32-18(3)25(26(30-32)19-8-6-5-7-9-19)24-17(2)10-11-22-21(24)14-28-29-22/h10-11,14,19-20H,4-9,12-13,15-16H2,1-3H3,(H,28,29) |
| InChIKey | InChI | 1.06 | HIPMOJFZOLBRKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]ncc56)C1 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]ncc56)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)C4CCCCC4)c5c(ccc6c5cn[nH]6)C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)C4CCCCC4)c5c(ccc6c5cn[nH]6)C)C |
