C118H101F6N19O9S2 — CID 161466847
N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-3-ylacetamide (PubChem CID 161466847) has the molecular formula C118H101F6N19O9S2 and a molecular weight of 2107.35 g/mol. Its IUPAC name is N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-3-ylacetamide.
| Compound Name | N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-3-ylacetamide |
|---|---|
| PubChem CID | 161466847 |
| Molecular Formula | C118H101F6N19O9S2 |
| Molecular Weight | 2107.35 g/mol |
| Exact Mass | 2105.74 |
| IUPAC Name | N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-3-ylacetamide |
| SMILES | Cc1cc(NC(=O)C2CCCO2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)C2CCOC2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)Cc2cccs2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)Cc2ccsc2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)[C@@H]2CCC(=O)N2)cc2c(-c3cccc(F)c3)[nH]nc12.O=C(Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F)C1CC1 |
| InChI | InChI=1S/C21H16FN3O.2C20H16FN3OS.C19H17FN4O2.2C19H18FN3O2/c22-17-11-18-16(10-19(17)23-21(26)13-6-7-13)20(25-24-18)15-8-5-12-3-1-2-4-14(12)9-15;1-12-8-15(22-18(25)11-16-6-3-7-26-16)10-17-19(12)23-24-20(17)13-4-2-5-14(21)9-13;1-12-7-16(22-18(25)8-13-5-6-26-11-13)10-17-19(12)23-24-20(17)14-3-2-4-15(21)9-14;1-10-7-13(21-19(26)15-5-6-16(25)22-15)9-14-17(10)23-24-18(14)11-3-2-4-12(20)8-11;1-11-8-14(21-19(24)16-6-3-7-25-16)10-15-17(11)22-23-18(15)12-4-2-5-13(20)9-12;1-11-7-15(21-19(24)13-5-6-25-10-13)9-16-17(11)22-23-18(16)12-3-2-4-14(20)8-12/h1-5,8-11,13H,6-7H2,(H,23,26)(H,24,25);2-10H,11H2,1H3,(H,22,25)(H,23,24);2-7,9-11H,8H2,1H3,(H,22,25)(H,23,24);2-4,7-9,15H,5-6H2,1H3,(H,21,26)(H,22,25)(H,23,24);2,4-5,8-10,16H,3,6-7H2,1H3,(H,21,24)(H,22,23);2-4,7-9,13H,5-6,10H2,1H3,(H,21,24)(H,22,23)/t;;;15-;;/m...0../s1 |
| InChIKey | WCNWQKRNAAWQNT-VPPBVXFWSA-N |
| XLogP | 25.05 |
| TPSA | 394.24 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2107.35 |
| LogP ≤ 5 | 25.05 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 17 |