C108H125N25O10S5 — CID 158261600
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-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 158261600) has the molecular formula C108H125N25O10S5 and a molecular weight of 2093.69 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-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-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 | 158261600 |
| Molecular Formula | C108H125N25O10S5 |
| Molecular Weight | 2093.69 g/mol |
| Exact Mass | 2091.86 |
| 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-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)(c1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1 |
| InChI | InChI=1S/C24H27N5O2S.C23H25N5O2S.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;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);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 | GHXXDGDHIWIDNO-UHFFFAOYSA-N |
| XLogP | 16.81 |
| TPSA | 419.40 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2093.69 |
| LogP ≤ 5 | 16.81 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |