C98H95N17O19 — CID 158089946
N-cyclopropyl-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 158089946) has the molecular formula C98H95N17O19 and a molecular weight of 1814.94 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid.
| Compound Name | N-cyclopropyl-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid |
|---|---|
| PubChem CID | 158089946 |
| Molecular Formula | C98H95N17O19 |
| Molecular Weight | 1814.94 g/mol |
| Exact Mass | 1813.70 |
| IUPAC Name | N-cyclopropyl-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid |
| SMILES | CCOC(=O)c1ccc2c(c(/C=C/c3ccc(OC)nc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)nc3)c2c1OC.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cn1 |
| InChI | InChI=1S/C22H20N4O4.C20H20N4O3.C20H21N3O4.C19H19N3O4.C17H15N3O4/c1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15;1-26-17-10-4-12(11-21-17)3-8-15-18-16(24-23-15)9-7-14(19(18)27-2)20(25)22-13-5-6-13;1-5-27-20(24)14-8-10-16-18(19(14)26-4)15(22-23(16)2)9-6-13-7-11-17(25-3)21-12-13;1-4-26-19(23)13-7-9-15-17(18(13)25-3)14(21-22-15)8-5-12-6-10-16(24-2)20-11-12;1-23-14-8-4-10(9-18-14)3-6-12-15-13(20-19-12)7-5-11(17(21)22)16(15)24-2/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26);3-4,7-11,13H,5-6H2,1-2H3,(H,22,25)(H,23,24);6-12H,5H2,1-4H3;5-11H,4H2,1-3H3,(H,21,22);3-9H,1-2H3,(H,19,20)(H,21,22)/b8-5+;8-3+;9-6+;8-5+;6-3+ |
| InChIKey | FNZBWMGNVLFZSF-OSSVGSCGSA-N |
| XLogP | 16.20 |
| TPSA | 450.53 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1814.94 |
| LogP ≤ 5 | 16.20 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |