C98H76F10N14O8S — CID 158227675
N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylic acid;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 158227675) has the molecular formula C98H76F10N14O8S and a molecular weight of 1799.82 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylic acid;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylic acid;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158227675 |
| Molecular Formula | C98H76F10N14O8S |
| Molecular Weight | 1799.82 g/mol |
| Exact Mass | 1798.55 |
| IUPAC Name | N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylic acid;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide |
| SMILES | CC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NC1CC1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F |
| InChI | InChI=1S/C21H15F2N3O2.C21H21F2N3O2.C21H15F2N3OS.C19H15F2N3O.C16H10F2N2O2/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-12(2)18(11-27)24-21(28)15-7-9-17-19(20(15)23)16(25-26-17)8-6-13-4-3-5-14(22)10-13;22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;20-12-3-1-2-11(10-12)4-8-15-17-16(24-23-15)9-7-14(18(17)21)19(25)22-13-5-6-13;17-10-3-1-2-9(8-10)4-6-12-14-13(20-19-12)7-5-11(15(14)18)16(21)22/h1-11H,12H2,(H,24,27)(H,25,26);3-10,12,18,27H,11H2,1-2H3,(H,24,28)(H,25,26);1-11H,12H2,(H,24,27)(H,25,26);1-4,7-10,13H,5-6H2,(H,22,25)(H,23,24);1-8H,(H,19,20)(H,21,22)/b3*8-6+;8-4+;6-4+/t;18-;;;/m.1.../s1 |
| InChIKey | GDZPDBZQRUJROR-WEDSUVCTSA-N |
| XLogP | 20.91 |
| TPSA | 330.47 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1799.82 |
| LogP ≤ 5 | 20.91 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 13 |