C81H73FN18O10 — CID 158303781
N-benzyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158303781) has the molecular formula C81H73FN18O10 and a molecular weight of 1477.59 g/mol. Its IUPAC name is N-benzyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-benzyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158303781 |
| Molecular Formula | C81H73FN18O10 |
| Molecular Weight | 1477.59 g/mol |
| Exact Mass | 1476.57 |
| IUPAC Name | N-benzyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(F)c3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3cnccn3)c12 |
| InChI | InChI=1S/C22H19N5O2.C21H18N6O2.C20H19FN2O4.C18H17N5O2/c1-29-21-17(22(28)25-13-15-5-3-2-4-6-15)8-10-19-20(21)18(26-27-19)9-7-16-14-23-11-12-24-16;1-29-20-16(21(28)25-12-14-3-2-8-22-11-14)5-7-18-19(20)17(26-27-18)6-4-15-13-23-9-10-24-15;1-4-27-20(24)13-7-9-16-18(19(13)26-3)15(22-23-16)8-5-12-6-10-17(25-2)14(21)11-12;1-25-17-13(18(24)21-11-2-3-11)5-7-15-16(17)14(22-23-15)6-4-12-10-19-8-9-20-12/h2-12,14H,13H2,1H3,(H,25,28)(H,26,27);2-11,13H,12H2,1H3,(H,25,28)(H,26,27);5-11H,4H2,1-3H3,(H,22,23);4-11H,2-3H2,1H3,(H,21,24)(H,22,23)/b9-7+;6-4+;8-5+;6-4+ |
| InChIKey | GMVAKCBAFMQRFG-BKFKURHBSA-N |
| XLogP | 12.81 |
| TPSA | 364.70 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 110 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1477.59 |
| LogP ≤ 5 | 12.81 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |