C69H88Cl2N18O7S2 — CID 161482823
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 161482823) has the molecular formula C69H88Cl2N18O7S2 and a molecular weight of 1416.62 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole.
| Compound Name | 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole |
|---|---|
| PubChem CID | 161482823 |
| Molecular Formula | C69H88Cl2N18O7S2 |
| Molecular Weight | 1416.62 g/mol |
| Exact Mass | 1414.59 |
| IUPAC Name | 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indazole |
| SMILES | CC1(C)CN(c2cc(N3CCCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CC1(C)CN(c2cc(N3CCOCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1C(=O)NC(=O)C12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.Clc1cc(N2CCC(c3ccccc3)CC2)c2cn[nH]c2c1 |
| InChI | InChI=1S/C18H18ClN3.C18H27N5O3S.C18H27N5O2S.C15H16ClN5O2/c19-15-10-17-16(12-20-21-17)18(11-15)22-8-6-14(7-9-22)13-4-2-1-3-5-13;1-18(2)13-22(4-5-23(18)27(3,24)25)17-11-14(21-6-8-26-9-7-21)10-16-15(17)12-19-20-16;1-18(2)13-22(8-9-23(18)26(3,24)25)17-11-14(21-6-4-5-7-21)10-16-15(17)12-19-20-16;1-20-14(23)18-13(22)15(20)2-4-21(5-3-15)12-7-9(16)6-11-10(12)8-17-19-11/h1-5,10-12,14H,6-9H2,(H,20,21);10-12H,4-9,13H2,1-3H3,(H,19,20);10-12H,4-9,13H2,1-3H3,(H,19,20);6-8H,2-5H2,1H3,(H,17,19)(H,18,22,23) |
| InChIKey | WEOYFQZFMOKARB-UHFFFAOYSA-N |
| XLogP | 9.62 |
| TPSA | 267.56 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 98 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1416.62 |
| LogP ≤ 5 | 9.62 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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