C78H71N13O13S — CID 160910197
N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 160910197) has the molecular formula C78H71N13O13S and a molecular weight of 1430.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 160910197 |
| Molecular Formula | C78H71N13O13S |
| Molecular Weight | 1430.57 g/mol |
| Exact Mass | 1429.50 |
| IUPAC Name | N-cyclopropyl-3-[(E)-2-(furan-3-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(furan-3-yl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccoc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccoc3)c12 |
| InChI | InChI=1S/C23H21N3O4.C20H17N3O4.C18H17N3O3.C17H16N4O2S/c1-29-22-17(23(28)24-20(13-27)16-5-3-2-4-6-16)8-10-19-21(22)18(25-26-19)9-7-15-11-12-30-14-15;1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13;1-23-17-13(18(22)19-12-3-4-12)5-7-15-16(17)14(20-21-15)6-2-11-8-9-24-10-11;1-23-16-11(17(22)19-10-2-3-10)4-5-12-15(16)13(21-20-12)6-7-14-18-8-9-24-14/h2-12,14,20,27H,13H2,1H3,(H,24,28)(H,25,26);2-10,12H,11H2,1H3,(H,21,24)(H,22,23);2,5-10,12H,3-4H2,1H3,(H,19,22)(H,20,21);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b9-7+;6-4+;6-2+;7-6+/t20-;;;/m1.../s1 |
| InChIKey | SQRFNXYNQCUZSB-ZEAPWYCWSA-N |
| XLogP | 13.97 |
| TPSA | 353.72 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 105 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1430.57 |
| LogP ≤ 5 | 13.97 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 19 |