C110H95F6N19O12S — CID 158733967
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 158733967) has the molecular formula C110H95F6N19O12S and a molecular weight of 2021.15 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
| Compound Name | N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 158733967 |
| Molecular Formula | C110H95F6N19O12S |
| Molecular Weight | 2021.15 g/mol |
| Exact Mass | 2019.70 |
| IUPAC Name | N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide |
| SMILES | CC(=O)Nc1cc(C)c2n[nH]c(-c3cccc(F)c3)c2c1.COCCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1OC.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)Cc1cccs1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)c1ccco1.Cc1cc(NC(=O)C2CC2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)[C@H]2CCC(=O)N2)cc2c(-c3cccc(F)c3)[nH]nc12 |
| InChI | InChI=1S/C20H16FN3O2S.C19H17FN4O2.C19H14FN3O3.C18H18FN3O3.C18H16FN3O.C16H14FN3O/c1-26-18-11-16-15(20(24-23-16)12-4-2-5-13(21)8-12)10-17(18)22-19(25)9-14-6-3-7-27-14;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;1-25-17-10-14-13(9-15(17)21-19(24)16-6-3-7-26-16)18(23-22-14)11-4-2-5-12(20)8-11;1-24-7-6-17(23)20-15-9-13-14(10-16(15)25-2)21-22-18(13)11-4-3-5-12(19)8-11;1-10-7-14(20-18(23)11-5-6-11)9-15-16(10)21-22-17(15)12-3-2-4-13(19)8-12;1-9-6-13(18-10(2)21)8-14-15(9)19-20-16(14)11-4-3-5-12(17)7-11/h2-8,10-11H,9H2,1H3,(H,22,25)(H,23,24);2-4,7-9,15H,5-6H2,1H3,(H,21,26)(H,22,25)(H,23,24);2-10H,1H3,(H,21,24)(H,22,23);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22);2-4,7-9,11H,5-6H2,1H3,(H,20,23)(H,21,22);3-8H,1-2H3,(H,18,21)(H,19,20)/t;15-;;;;/m.1..../s1 |
| InChIKey | ILLBPKFGBKPNQK-LLXLMIIZSA-N |
| XLogP | 22.75 |
| TPSA | 425.84 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2021.15 |
| LogP ≤ 5 | 22.75 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 19 |