C110H87F12N23O8 — CID 160757445
N-(2-acetamidoethyl)-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 160757445) has the molecular formula C110H87F12N23O8 and a molecular weight of 2087.03 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-(2-acetamidoethyl)-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 160757445 |
| Molecular Formula | C110H87F12N23O8 |
| Molecular Weight | 2087.03 g/mol |
| Exact Mass | 2085.69 |
| IUPAC Name | N-(2-acetamidoethyl)-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
| SMILES | CC(=O)NCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.CN(C)CCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(NC1CC1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(NCc1cccnc1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(NCc1cnc[nH]1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F |
| InChI | InChI=1S/C20H14F2N4O.C19H13F2N3O2.C18H13F2N5O.C18H16F2N4O2.C18H18F2N4O.C17H13F2N3O/c21-14-5-1-4-13(7-14)19-16-8-15(17(22)9-18(16)25-26-19)20(27)24-11-12-3-2-6-23-10-12;20-12-4-1-3-11(7-12)18-15-8-14(16(21)9-17(15)23-24-18)19(25)22-10-13-5-2-6-26-13;19-11-3-1-2-10(4-11)17-14-5-13(15(20)6-16(14)24-25-17)18(26)22-8-12-7-21-9-23-12;1-10(25)21-5-6-22-18(26)13-8-14-16(9-15(13)20)23-24-17(14)11-3-2-4-12(19)7-11;1-24(2)7-6-21-18(25)13-9-14-16(10-15(13)20)22-23-17(14)11-4-3-5-12(19)8-11;18-10-3-1-2-9(6-10)16-13-7-12(17(23)20-11-4-5-11)14(19)8-15(13)21-22-16/h1-10H,11H2,(H,24,27)(H,25,26);1-9H,10H2,(H,22,25)(H,23,24);1-7,9H,8H2,(H,21,23)(H,22,26)(H,24,25);2-4,7-9H,5-6H2,1H3,(H,21,25)(H,22,26)(H,23,24);3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,23);1-3,6-8,11H,4-5H2,(H,20,23)(H,21,22) |
| InChIKey | RXPREAZNTSPNLS-UHFFFAOYSA-N |
| XLogP | 19.60 |
| TPSA | 433.73 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2087.03 |
| LogP ≤ 5 | 19.60 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|