C69H73Cl4F3N18O8S2 — CID 161059229
5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 161059229) has the molecular formula C69H73Cl4F3N18O8S2 and a molecular weight of 1545.40 g/mol. Its IUPAC name is 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.
| Compound Name | 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 161059229 |
| Molecular Formula | C69H73Cl4F3N18O8S2 |
| Molecular Weight | 1545.40 g/mol |
| Exact Mass | 1542.40 |
| IUPAC Name | 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone |
| SMILES | CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CNc1ccc(-c2cc(Cl)cc3[nH]ncc23)cn1.COC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1 |
| InChI | InChI=1S/C15H11ClN2O2.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S.C13H11ClN4/c1-20-15(19)10-4-2-9(3-5-10)12-6-11(16)7-14-13(12)8-17-18-14;1-18(22(2,20)21)11-4-3-5-19(9-11)14-7-10(15)6-13-12(14)8-16-17-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12;1-15-13-3-2-8(6-16-13)10-4-9(14)5-12-11(10)7-17-18-12/h2-8H,1H3,(H,17,18);6-8,11H,3-5,9H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16);2-7H,1H3,(H,15,16)(H,17,18) |
| InChIKey | UDEDJQJIBSFEBS-UHFFFAOYSA-N |
| XLogP | 12.88 |
| TPSA | 308.64 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 104 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1545.40 |
| LogP ≤ 5 | 12.88 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |