C102H117N16O10P — CID 160958550
3-[6-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-[5-[methoxy(methyl)phosphoryl]oxy-1H-indazol-3-yl]-1H-indol-6-yl]oxy]ethanamine;N,N-diethyl-2-[1-methyl-2-(1-methyl-5-phenylmethoxyindazol-3-yl)indol-6-yl]oxyethanamine;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-6-yl]oxy]ethanamine (PubChem CID 160958550) has the molecular formula C102H117N16O10P and a molecular weight of 1758.13 g/mol. Its IUPAC name is 3-[6-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-[5-[methoxy(methyl)phosphoryl]oxy-1H-indazol-3-yl]-1H-indol-6-yl]oxy]ethanamine;N,N-diethyl-2-[1-methyl-2-(1-methyl-5-phenylmethoxyindazol-3-yl)indol-6-yl]oxyethanamine;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-6-yl]oxy]ethanamine.
| Compound Name | 3-[6-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-[5-[methoxy(methyl)phosphoryl]oxy-1H-indazol-3-yl]-1H-indol-6-yl]oxy]ethanamine;N,N-diethyl-2-[1-methyl-2-(1-methyl-5-phenylmethoxyindazol-3-yl)indol-6-yl]oxyethanamine;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-6-yl]oxy]ethanamine |
|---|---|
| PubChem CID | 160958550 |
| Molecular Formula | C102H117N16O10P |
| Molecular Weight | 1758.13 g/mol |
| Exact Mass | 1756.89 |
| IUPAC Name | 3-[6-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-[5-[methoxy(methyl)phosphoryl]oxy-1H-indazol-3-yl]-1H-indol-6-yl]oxy]ethanamine;N,N-diethyl-2-[1-methyl-2-(1-methyl-5-phenylmethoxyindazol-3-yl)indol-6-yl]oxyethanamine;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-6-yl]oxy]ethanamine |
| SMILES | CCN(CC)CCOc1ccc2cc(-c3n[nH]c4ccc(O)cc34)[nH]c2c1.CCN(CC)CCOc1ccc2cc(-c3n[nH]c4ccc(OCc5ccccc5)cc34)[nH]c2c1.CCN(CC)CCOc1ccc2cc(-c3n[nH]c4ccc(OP(C)(=O)OC)cc34)[nH]c2c1.CCN(CC)CCOc1ccc2cc(-c3nn(C)c4ccc(OCc5ccccc5)cc34)n(C)c2c1 |
| InChI | InChI=1S/C30H34N4O2.C28H30N4O2.C23H29N4O4P.C21H24N4O2/c1-5-34(6-2)16-17-35-25-13-12-23-18-29(32(3)28(23)20-25)30-26-19-24(14-15-27(26)33(4)31-30)36-21-22-10-8-7-9-11-22;1-3-32(4-2)14-15-33-23-11-10-21-16-27(29-26(21)18-23)28-24-17-22(12-13-25(24)30-31-28)34-19-20-8-6-5-7-9-20;1-5-27(6-2)11-12-30-17-8-7-16-13-22(24-21(16)15-17)23-19-14-18(31-32(4,28)29-3)9-10-20(19)25-26-23;1-3-25(4-2)9-10-27-16-7-5-14-11-20(22-19(14)13-16)21-17-12-15(26)6-8-18(17)23-24-21/h7-15,18-20H,5-6,16-17,21H2,1-4H3;5-13,16-18,29H,3-4,14-15,19H2,1-2H3,(H,30,31);7-10,13-15,24H,5-6,11-12H2,1-4H3,(H,25,26);5-8,11-13,22,26H,3-4,9-10H2,1-2H3,(H,23,24) |
| InChIKey | SWSFRXQLTCATLL-UHFFFAOYSA-N |
| XLogP | 21.46 |
| TPSA | 280.26 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 129 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1758.13 |
| LogP ≤ 5 | 21.46 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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