C94H68F4N12O6 — CID 159412921
N-cyclopropyl-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 159412921) has the molecular formula C94H68F4N12O6 and a molecular weight of 1537.65 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159412921 |
| Molecular Formula | C94H68F4N12O6 |
| Molecular Weight | 1537.65 g/mol |
| Exact Mass | 1536.53 |
| IUPAC Name | N-cyclopropyl-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
| SMILES | O=C(NC1CC1)c1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCc1cccnc1)c1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(O)c1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F |
| InChI | InChI=1S/C26H19FN4O.C25H18FN3O2.C23H18FN3O.C20H13FN2O2/c27-23-14-25-22(13-21(23)26(32)29-16-18-4-3-11-28-15-18)24(30-31-25)10-8-17-7-9-19-5-1-2-6-20(19)12-17;26-22-14-24-21(13-20(22)25(30)27-15-19-6-3-11-31-19)23(28-29-24)10-8-16-7-9-17-4-1-2-5-18(17)12-16;24-20-13-22-19(12-18(20)23(28)25-17-8-9-17)21(26-27-22)10-6-14-5-7-15-3-1-2-4-16(15)11-14;21-17-11-19-16(10-15(17)20(24)25)18(22-23-19)8-6-12-5-7-13-3-1-2-4-14(13)9-12/h1-15H,16H2,(H,29,32)(H,30,31);1-14H,15H2,(H,27,30)(H,28,29);1-7,10-13,17H,8-9H2,(H,25,28)(H,26,27);1-11H,(H,22,23)(H,24,25)/b2*10-8+;10-6+;8-6+ |
| InChIKey | LOUNJHFDTHBKBQ-OQABXVGTSA-N |
| XLogP | 20.54 |
| TPSA | 265.35 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 116 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1537.65 |
| LogP ≤ 5 | 20.54 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 10 |