C96H82N24O15 — CID 157257472
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157257472) has the molecular formula C96H82N24O15 and a molecular weight of 1811.86 g/mol. Its IUPAC name is 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157257472 |
| Molecular Formula | C96H82N24O15 |
| Molecular Weight | 1811.86 g/mol |
| Exact Mass | 1810.64 |
| IUPAC Name | 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | CCOC(=O)c1ccc2n[nH]c(/C=C/c3cnccn3)c2c1OC.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3cnccn3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cnccn3)c12 |
| InChI | InChI=1S/C24H20N4O4.C20H17N7O2.C20H17N5O3.C17H16N4O3.C15H12N4O3/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20;1-29-19-15(20(28)25-12-14-11-22-7-9-24-14)3-5-17-18(19)16(26-27-17)4-2-13-10-21-6-8-23-13;1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14;1-3-24-17(22)12-5-7-14-15(16(12)23-2)13(20-21-14)6-4-11-10-18-8-9-19-11;1-22-14-10(15(20)21)3-5-12-13(14)11(18-19-12)4-2-9-8-16-6-7-17-9/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28);2-11H,12H2,1H3,(H,25,28)(H,26,27);2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25);4-10H,3H2,1-2H3,(H,20,21);2-8H,1H3,(H,18,19)(H,20,21)/b7-4+;2*4-2+;6-4+;4-2+ |
| InChIKey | AXBDRQYXICTHTD-HPEJXXEUSA-N |
| XLogP | 14.04 |
| TPSA | 513.84 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1811.86 |
| LogP ≤ 5 | 14.04 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 30 |