C131H128N16O19 — CID 158878445
3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 158878445) has the molecular formula C131H128N16O19 and a molecular weight of 2230.56 g/mol. Its IUPAC name is 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide.
| Compound Name | 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158878445 |
| Molecular Formula | C131H128N16O19 |
| Molecular Weight | 2230.56 g/mol |
| Exact Mass | 2228.95 |
| IUPAC Name | 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(N(C)C)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)cc1.COc1cccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)c1.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12 |
| InChI | InChI=1S/C27H28N4O3.4C26H25N3O4/c1-31(2)20-11-7-8-18(16-20)12-14-22-25-23(30-29-22)15-13-21(26(25)34-3)27(33)28-24(17-32)19-9-5-4-6-10-19;1-32-19-10-6-7-17(15-19)11-13-21-24-22(29-28-21)14-12-20(25(24)33-2)26(31)27-23(16-30)18-8-4-3-5-9-18;1-32-23-11-7-6-10-18(23)12-14-20-24-21(29-28-20)15-13-19(25(24)33-2)26(31)27-22(16-30)17-8-4-3-5-9-17;1-32-19-11-8-17(9-12-19)10-14-21-24-22(29-28-21)15-13-20(25(24)33-2)26(31)27-23(16-30)18-6-4-3-5-7-18;1-33-25-20(26(32)27-23(16-31)19-8-3-2-4-9-19)11-13-22-24(25)21(28-29-22)12-10-17-6-5-7-18(14-17)15-30/h4-16,24,32H,17H2,1-3H3,(H,28,33)(H,29,30);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,22,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);2-14,23,30-31H,15-16H2,1H3,(H,27,32)(H,28,29)/b14-12+;13-11+;14-12+;14-10+;12-10+/t24-;23-;22-;2*23-/m11111/s1 |
| InChIKey | JCSRUMJPMWFXJZ-WGDJTBLSSA-N |
| XLogP | 20.61 |
| TPSA | 487.36 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2230.56 |
| LogP ≤ 5 | 20.61 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 25 |