C119H102F5N19O10 — CID 157255865
N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157255865) has the molecular formula C119H102F5N19O10 and a molecular weight of 2053.24 g/mol. Its IUPAC name is N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157255865 |
| Molecular Formula | C119H102F5N19O10 |
| Molecular Weight | 2053.24 g/mol |
| Exact Mass | 2051.80 |
| IUPAC Name | N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NCCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCc2ccncc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccncc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12 |
| InChI | InChI=1S/3C24H21FN4O2.C24H20FN3O2.C23H19FN4O2/c1-31-23-19(24(30)27-15-12-17-10-13-26-14-11-17)7-9-21-22(23)20(28-29-21)8-4-16-2-5-18(25)6-3-16;1-31-23-19(24(30)27-14-12-17-3-2-13-26-15-17)9-11-21-22(23)20(28-29-21)10-6-16-4-7-18(25)8-5-16;1-31-23-19(24(30)27-15-13-18-4-2-3-14-26-18)10-12-21-22(23)20(28-29-21)11-7-16-5-8-17(25)9-6-16;1-30-23-19(24(29)26-15-17-5-3-2-4-6-17)12-14-21-22(23)20(27-28-21)13-9-16-7-10-18(25)11-8-16;1-30-22-18(23(29)26-14-16-10-12-25-13-11-16)7-9-20-21(22)19(27-28-20)8-4-15-2-5-17(24)6-3-15/h2-11,13-14H,12,15H2,1H3,(H,27,30)(H,28,29);2-11,13,15H,12,14H2,1H3,(H,27,30)(H,28,29);2-12,14H,13,15H2,1H3,(H,27,30)(H,28,29);2-14H,15H2,1H3,(H,26,29)(H,27,28);2-13H,14H2,1H3,(H,26,29)(H,27,28)/b8-4+;10-6+;11-7+;13-9+;8-4+ |
| InChIKey | AWWPISCNPIKKKH-JPHOQHLSSA-N |
| XLogP | 21.76 |
| TPSA | 386.61 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2053.24 |
| LogP ≤ 5 | 21.76 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 19 |