C130H147ClN30O12S6 — CID 158134353
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (PubChem CID 158134353) has the molecular formula C130H147ClN30O12S6 and a molecular weight of 2549.66 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.
| Compound Name | 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole |
|---|---|
| PubChem CID | 158134353 |
| Molecular Formula | C130H147ClN30O12S6 |
| Molecular Weight | 2549.66 g/mol |
| Exact Mass | 2546.98 |
| IUPAC Name | 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole |
| SMILES | CS(=O)(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(C1CCCCC1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1 |
| InChI | InChI=1S/C24H27N5O2S.C23H25N5O2S.C22H22ClN5O2S.C22H29N5O2S.C22H23N5O2S.C17H21N5O2S/c30-32(31,13-10-19-4-2-1-3-5-19)28-11-8-20(9-12-28)18-29-24-7-6-21(14-22(24)17-27-29)23-15-25-26-16-23;29-31(30,17-19-4-2-1-3-5-19)27-10-8-18(9-11-27)16-28-23-7-6-20(12-21(23)15-26-28)22-13-24-25-14-22;23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19;2*28-30(29,21-4-2-1-3-5-21)26-10-8-17(9-11-26)16-27-22-7-6-18(12-19(22)15-25-27)20-13-23-24-14-20;1-25(23,24)21-6-4-13(5-7-21)12-22-17-3-2-14(8-15(17)11-20-22)16-9-18-19-10-16/h1-7,14-17,20H,8-13,18H2,(H,25,26);1-7,12-15,18H,8-11,16-17H2,(H,24,25);1-6,11-14,16H,7-10,15H2,(H,24,25);6-7,12-15,17,21H,1-5,8-11,16H2,(H,23,24);1-7,12-15,17H,8-11,16H2,(H,23,24);2-3,8-11,13H,4-7,12H2,1H3,(H,18,19) |
| InChIKey | FTDXSEMZBDSEOF-UHFFFAOYSA-N |
| XLogP | 20.99 |
| TPSA | 503.28 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2549.66 |
| LogP ≤ 5 | 20.99 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |