C66H70Cl4N18O5S — CID 158022716
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole (PubChem CID 158022716) has the molecular formula C66H70Cl4N18O5S and a molecular weight of 1369.29 g/mol. Its IUPAC name is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole.
| Compound Name | 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole |
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| PubChem CID | 158022716 |
| Molecular Formula | C66H70Cl4N18O5S |
| Molecular Weight | 1369.29 g/mol |
| Exact Mass | 1366.43 |
| IUPAC Name | 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole |
| SMILES | CC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1 |
| InChI | InChI=1S/C20H21ClN4O.C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19) |
| InChIKey | FGGATTXIWVBVRF-UHFFFAOYSA-N |
| XLogP | 12.24 |
| TPSA | 277.28 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 94 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1369.29 |
| LogP ≤ 5 | 12.24 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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