C88H88F2N22O8S4 — CID 157159925
1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole (PubChem CID 157159925) has the molecular formula C88H88F2N22O8S4 and a molecular weight of 1748.08 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole.
| Compound Name | 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole |
|---|---|
| PubChem CID | 157159925 |
| Molecular Formula | C88H88F2N22O8S4 |
| Molecular Weight | 1748.08 g/mol |
| Exact Mass | 1746.60 |
| IUPAC Name | 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole |
| SMILES | N#Cc1ccc(S(=O)(=O)N2CCC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2)cc1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1 |
| InChI | InChI=1S/C23H22N6O2S.2C22H22FN5O2S.C21H22N6O2S/c24-12-17-1-4-22(5-2-17)32(30,31)28-9-7-18(8-10-28)16-29-23-6-3-19(11-20(23)15-27-29)21-13-25-26-14-21;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;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-6,11,13-15,18H,7-10,16H2,(H,25,26);1-6,11-14,16H,7-10,15H2,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24) |
| InChIKey | AMGDGAHUXZWYAK-UHFFFAOYSA-N |
| XLogP | 13.65 |
| TPSA | 372.20 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 124 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1748.08 |
| LogP ≤ 5 | 13.65 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |