C120H83F12N19O10S — CID 161136646
N-(1-benzofuran-2-ylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 161136646) has the molecular formula C120H83F12N19O10S and a molecular weight of 2211.15 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-(1-benzofuran-2-ylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 161136646 |
| Molecular Formula | C120H83F12N19O10S |
| Molecular Weight | 2211.15 g/mol |
| Exact Mass | 2209.61 |
| IUPAC Name | N-(1-benzofuran-2-ylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(furan-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | Cc1ccc(CNC(=O)c2cc(F)c3n[nH]c(-c4cccc(F)c4)c3c2)o1.O=C(NCc1cc2ccccc2o1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCc1cccnc1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCc1ccco1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCc1cccs1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCc1ccoc1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1 |
| InChI | InChI=1S/C23H15F2N3O2.C20H14F2N4O.C20H15F2N3O2.2C19H13F2N3O2.C19H13F2N3OS/c24-16-6-3-5-14(8-16)21-18-10-15(11-19(25)22(18)28-27-21)23(29)26-12-17-9-13-4-1-2-7-20(13)30-17;21-15-5-1-4-13(7-15)18-16-8-14(9-17(22)19(16)26-25-18)20(27)24-11-12-3-2-6-23-10-12;1-11-5-6-15(27-11)10-23-20(26)13-8-16-18(12-3-2-4-14(21)7-12)24-25-19(16)17(22)9-13;20-13-4-1-3-11(7-13)17-15-8-12(9-16(21)18(15)24-23-17)19(25)22-10-14-5-2-6-26-14;20-14-3-1-2-12(6-14)17-15-7-13(8-16(21)18(15)24-23-17)19(25)22-9-11-4-5-26-10-11;20-13-4-1-3-11(7-13)17-15-8-12(9-16(21)18(15)24-23-17)19(25)22-10-14-5-2-6-26-14/h1-11H,12H2,(H,26,29)(H,27,28);1-10H,11H2,(H,24,27)(H,25,26);2-9H,10H2,1H3,(H,23,26)(H,24,25);1-9H,10H2,(H,22,25)(H,23,24);1-8,10H,9H2,(H,22,25)(H,23,24);1-9H,10H2,(H,22,25)(H,23,24) |
| InChIKey | UMWREXTXSPXBLP-UHFFFAOYSA-N |
| XLogP | 25.92 |
| TPSA | 412.13 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2211.15 |
| LogP ≤ 5 | 25.92 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |