C75H92Cl3N19O9S2 — CID 158191311
4-(6-chloro-1H-indazol-4-yl)morpholine;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione;5-(6-chloro-1H-indazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indazole (PubChem CID 158191311) has the molecular formula C75H92Cl3N19O9S2 and a molecular weight of 1574.18 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)morpholine;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione;5-(6-chloro-1H-indazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indazole.
| Compound Name | 4-(6-chloro-1H-indazol-4-yl)morpholine;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione;5-(6-chloro-1H-indazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indazole |
|---|---|
| PubChem CID | 158191311 |
| Molecular Formula | C75H92Cl3N19O9S2 |
| Molecular Weight | 1574.18 g/mol |
| Exact Mass | 1571.58 |
| IUPAC Name | 4-(6-chloro-1H-indazol-4-yl)morpholine;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione;5-(6-chloro-1H-indazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indazole |
| SMILES | CCc1cc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.COCCN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CS(=O)(=O)N1CCC(c2cc(C3CCOCC3)cc3[nH]ncc23)CC1.Clc1cc(N2CCOCC2)c2cn[nH]c2c1.Clc1cc(N2CCc3[nH]ncc3C2)c2cn[nH]c2c1 |
| InChI | InChI=1S/C18H22ClN5O3.C18H25N3O3S.C15H21N3O2S.C13H12ClN5.C11H12ClN3O/c1-27-7-6-24-17(25)16(21-18(24)26)11-2-4-23(5-3-11)15-9-12(19)8-14-13(15)10-20-22-14;1-25(22,23)21-6-2-14(3-7-21)16-10-15(13-4-8-24-9-5-13)11-18-17(16)12-19-20-18;1-3-11-8-13(14-10-16-17-15(14)9-11)12-4-6-18(7-5-12)21(2,19)20;14-9-3-12-10(6-16-18-12)13(4-9)19-2-1-11-8(7-19)5-15-17-11;12-8-5-10-9(7-13-14-10)11(6-8)15-1-3-16-4-2-15/h8-11,16H,2-7H2,1H3,(H,20,22)(H,21,26);10-14H,2-9H2,1H3,(H,19,20);8-10,12H,3-7H2,1-2H3,(H,16,17);3-6H,1-2,7H2,(H,15,17)(H,16,18);5-7H,1-4H2,(H,13,14) |
| InChIKey | FZUCJPDNBLQUTN-UHFFFAOYSA-N |
| XLogP | 11.41 |
| TPSA | 333.66 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 108 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1574.18 |
| LogP ≤ 5 | 11.41 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|