C64H73N17O6S2 — CID 159575417
N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine (PubChem CID 159575417) has the molecular formula C64H73N17O6S2 and a molecular weight of 1240.53 g/mol. Its IUPAC name is N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine.
| Compound Name | N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine |
|---|---|
| PubChem CID | 159575417 |
| Molecular Formula | C64H73N17O6S2 |
| Molecular Weight | 1240.53 g/mol |
| Exact Mass | 1239.54 |
| IUPAC Name | N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine |
| SMILES | CC(=O)N1CCN(c2cccc3cnn(C)c23)CC1.CS(=O)(=O)NCCOc1cccc2[nH]ncc12.Cn1ncc2cccc(N3CCN(S(C)(=O)=O)CC3)c21.c1ccc(CNc2cccc3[nH]ncc23)cc1.c1ccc(Nc2cccc3[nH]ncc23)cc1 |
| InChI | InChI=1S/C14H18N4O.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-11(19)17-6-8-18(9-7-17)13-5-3-4-12-10-15-16(2)14(12)13;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;1-15-13-11(10-14-15)4-3-5-12(13)16-6-8-17(9-7-16)20(2,18)19;1-2-5-10(6-3-1)15-12-7-4-8-13-11(12)9-14-16-13;1-17(14,15)12-5-6-16-10-4-2-3-9-8(10)7-11-13-9/h3-5,10H,6-9H2,1-2H3;1-8,10,15H,9H2,(H,16,17);3-5,10H,6-9H2,1-2H3;1-9,15H,(H,14,16);2-4,7,12H,5-6H2,1H3,(H,11,13) |
| InChIKey | MIIPCHLRCKXOHN-UHFFFAOYSA-N |
| XLogP | 8.87 |
| TPSA | 265.31 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 89 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1240.53 |
| LogP ≤ 5 | 8.87 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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