C91H75F5N14O9S5 — CID 158175835
N-cyclopropyl-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxylic acid (PubChem CID 158175835) has the molecular formula C91H75F5N14O9S5 and a molecular weight of 1764.01 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxylic acid.
| Compound Name | N-cyclopropyl-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxylic acid |
|---|---|
| PubChem CID | 158175835 |
| Molecular Formula | C91H75F5N14O9S5 |
| Molecular Weight | 1764.01 g/mol |
| Exact Mass | 1762.44 |
| IUPAC Name | N-cyclopropyl-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxylic acid |
| SMILES | CC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(NC1CC1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F |
| InChI | InChI=1S/C22H18FN3O2S.C19H14FN3O2S.C19H20FN3O2S.C17H14FN3OS.C14H9FN2O2S/c23-18-12-20-17(19(25-26-20)9-8-15-7-4-10-29-15)11-16(18)22(28)24-21(13-27)14-5-2-1-3-6-14;20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12;1-11(2)18(10-24)21-19(25)13-8-14-16(6-5-12-4-3-7-26-12)22-23-17(14)9-15(13)20;18-14-9-16-13(8-12(14)17(22)19-10-3-4-10)15(20-21-16)6-5-11-2-1-7-23-11;15-11-7-13-10(6-9(11)14(18)19)12(16-17-13)4-3-8-2-1-5-20-8/h1-12,21,27H,13H2,(H,24,28)(H,25,26);1-10H,11H2,(H,21,24)(H,22,23);3-9,11,18,24H,10H2,1-2H3,(H,21,25)(H,22,23);1-2,5-10H,3-4H2,(H,19,22)(H,20,21);1-7H,(H,16,17)(H,18,19)/b9-8+;3*6-5+;4-3+/t21-;;18-;;/m1.1../s1 |
| InChIKey | FXZHIMZVQIFSNP-XNVZSPEBSA-N |
| XLogP | 19.99 |
| TPSA | 350.70 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1764.01 |
| LogP ≤ 5 | 19.99 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |