C116H107N17O16S7 — CID 157442797
N-cyclopropyl-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157442797) has the molecular formula C116H107N17O16S7 and a molecular weight of 2219.70 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157442797 |
| Molecular Formula | C116H107N17O16S7 |
| Molecular Weight | 2219.70 g/mol |
| Exact Mass | 2217.61 |
| IUPAC Name | N-cyclopropyl-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccs3)c12.COc1c(C(=O)NC(CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccs3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccs3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccs3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cccs3)c12 |
| InChI | InChI=1S/C23H21N3O3S.C20H17N3O3S.C20H23N3O3S.C20H17N3O2S2.C18H17N3O2S.C15H12N2O3S/c1-29-22-17(23(28)24-20(14-27)15-6-3-2-4-7-15)10-12-19-21(22)18(25-26-19)11-9-16-8-5-13-30-16;1-25-19-15(20(24)21-12-13-4-2-10-26-13)7-9-17-18(19)16(22-23-17)8-6-14-5-3-11-27-14;1-12(2)17(11-24)21-20(25)14-7-9-16-18(19(14)26-3)15(22-23-16)8-6-13-5-4-10-27-13;1-25-19-15(20(24)21-12-14-5-3-11-27-14)7-9-17-18(19)16(22-23-17)8-6-13-4-2-10-26-13;1-23-17-13(18(22)19-11-4-5-11)7-9-15-16(17)14(20-21-15)8-6-12-3-2-10-24-12;1-20-14-10(15(18)19)5-7-12-13(14)11(16-17-12)6-4-9-3-2-8-21-9/h2-13,20,27H,14H2,1H3,(H,24,28)(H,25,26);2-11H,12H2,1H3,(H,21,24)(H,22,23);4-10,12,17,24H,11H2,1-3H3,(H,21,25)(H,22,23);2-11H,12H2,1H3,(H,21,24)(H,22,23);2-3,6-11H,4-5H2,1H3,(H,19,22)(H,20,21);2-8H,1H3,(H,16,17)(H,18,19)/b11-9+;4*8-6+;6-4+ |
| InChIKey | BRWDJJGAYRSGTN-MSRASSPCSA-N |
| XLogP | 24.14 |
| TPSA | 463.86 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2219.70 |
| LogP ≤ 5 | 24.14 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |