C86H87F7N16O4S — CID 159538118
1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 159538118) has the molecular formula C86H87F7N16O4S and a molecular weight of 1573.80 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide.
| Compound Name | 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 159538118 |
| Molecular Formula | C86H87F7N16O4S |
| Molecular Weight | 1573.80 g/mol |
| Exact Mass | 1572.67 |
| IUPAC Name | 1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-[(dimethylamino)methyl]-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide |
| SMILES | CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4ccccc4F)n[nH]c3cc2F)CC1.CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1 |
| InChI | InChI=1S/3C22H22F2N4O.C20H21FN4OS/c1-28(2)13-22(9-10-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)8-5-14-3-6-15(23)7-4-14;1-28(2)13-22(8-9-22)21(29)25-20-11-16-18(26-27-19(16)12-17(20)24)7-6-14-4-3-5-15(23)10-14;1-28(2)13-22(9-10-22)21(29)25-20-11-15-18(26-27-19(15)12-17(20)24)8-7-14-5-3-4-6-16(14)23;1-25(2)12-20(7-8-20)19(26)22-18-10-14-16(6-5-13-4-3-9-27-13)23-24-17(14)11-15(18)21/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)(H,26,27);3-8,11-12H,9-10,13H2,1-2H3,(H,25,29)(H,26,27);3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24)/b8-5+;7-6+;8-7+;6-5+ |
| InChIKey | MDVWFYPMWGYBOU-YUUAZJCOSA-N |
| XLogP | 17.09 |
| TPSA | 244.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1573.80 |
| LogP ≤ 5 | 17.09 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 13 |