C98H79F10N15O6S — CID 159032038
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methanamine;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 159032038) has the molecular formula C98H79F10N15O6S and a molecular weight of 1784.86 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methanamine;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
| Compound Name | N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methanamine;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide |
|---|---|
| PubChem CID | 159032038 |
| Molecular Formula | C98H79F10N15O6S |
| Molecular Weight | 1784.86 g/mol |
| Exact Mass | 1783.59 |
| IUPAC Name | N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]methanamine;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide |
| SMILES | CC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.CC(C)(CO)C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NCc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C(CO)c1ccccc1 |
| InChI | InChI=1S/C24H19F2N3O2.C21H15F2N3OS.C20H19F2N3O2.C17H13F2N3O.C16H13F2N3/c25-17-9-6-15(7-10-17)8-11-21-18-12-23(20(26)13-22(18)29-28-21)27-24(31)19(14-30)16-4-2-1-3-5-16;22-14-6-3-13(4-7-14)5-8-18-16-11-20(17(23)12-19(16)26-25-18)24-21(27)10-15-2-1-9-28-15;1-20(2,11-26)19(27)23-18-9-14-16(24-25-17(14)10-15(18)22)8-5-12-3-6-13(21)7-4-12;1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)7-4-11-2-5-12(18)6-3-11;17-12-3-1-2-10(6-12)4-5-15-13-7-11(9-19)14(18)8-16(13)21-20-15/h1-13,19,30H,14H2,(H,27,31)(H,28,29);1-9,11-12H,10H2,(H,24,27)(H,25,26);3-10,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-9H,1H3,(H,20,23)(H,21,22);1-8H,9,19H2,(H,20,21)/b11-8+;2*8-5+;7-4+;5-4+ |
| InChIKey | JUZSPDRFCQHDFR-GDIXFZMASA-N |
| XLogP | 21.39 |
| TPSA | 326.28 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1784.86 |
| LogP ≤ 5 | 21.39 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |