C92H76F8N16O7S2 — CID 158159548
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide (PubChem CID 158159548) has the molecular formula C92H76F8N16O7S2 and a molecular weight of 1733.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide.
| Compound Name | (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide |
|---|---|
| PubChem CID | 158159548 |
| Molecular Formula | C92H76F8N16O7S2 |
| Molecular Weight | 1733.84 g/mol |
| Exact Mass | 1732.54 |
| IUPAC Name | (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide |
| SMILES | N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2ccco2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2cccs2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCNC1 |
| InChI | InChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.C21H20F2N4O/c2*26-17-6-3-15(4-7-17)5-8-21-19-11-23(20(27)12-22(19)30-29-21)28-25(33)16-10-24(32)31(13-16)14-18-2-1-9-34-18;22-13-6-3-12(4-7-13)5-8-16-14-10-18(15(23)11-17(14)27-26-16)25-21(28)20(24)19-2-1-9-29-19;22-15-6-3-13(4-7-15)5-8-18-16-10-20(17(23)11-19(16)27-26-18)25-21(28)14-2-1-9-24-12-14/h2*1-9,11-12,16H,10,13-14H2,(H,28,33)(H,29,30);1-11,20H,24H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b4*8-5+/t;;20-;/m..1./s1 |
| InChIKey | FWCICEDWLQKEFT-OHNPYUGISA-N |
| XLogP | 18.31 |
| TPSA | 322.93 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 125 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1733.84 |
| LogP ≤ 5 | 18.31 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 15 |