C96H71F8N15O6S2 — CID 162123420
N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide (PubChem CID 162123420) has the molecular formula C96H71F8N15O6S2 and a molecular weight of 1746.84 g/mol. Its IUPAC name is N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide.
| Compound Name | N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide |
|---|---|
| PubChem CID | 162123420 |
| Molecular Formula | C96H71F8N15O6S2 |
| Molecular Weight | 1746.84 g/mol |
| Exact Mass | 1745.50 |
| IUPAC Name | N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide |
| SMILES | CC(=O)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(Cc1cccs1)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(Cc1ccsc1)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1)C1CC1.O=C(Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1)C1CCCO1 |
| InChI | InChI=1S/C21H16FN3O.2C19H13F2N3OS.C19H14FN3O.C18H15F2N3O2/c22-18-11-16(23-21(26)13-6-7-13)10-17-19(24-25-20(17)18)15-8-5-12-3-1-2-4-14(12)9-15;20-12-4-1-3-11(7-12)18-15-8-13(9-16(21)19(15)24-23-18)22-17(25)10-14-5-2-6-26-14;20-13-3-1-2-12(7-13)18-15-8-14(9-16(21)19(15)24-23-18)22-17(25)6-11-4-5-26-10-11;1-11(24)21-15-9-16-18(22-23-19(16)17(20)10-15)14-7-6-12-4-2-3-5-13(12)8-14;19-11-4-1-3-10(7-11)16-13-8-12(9-14(20)17(13)23-22-16)21-18(24)15-5-2-6-25-15/h1-5,8-11,13H,6-7H2,(H,23,26)(H,24,25);1-9H,10H2,(H,22,25)(H,23,24);1-5,7-10H,6H2,(H,22,25)(H,23,24);2-10H,1H3,(H,21,24)(H,22,23);1,3-4,7-9,15H,2,5-6H2,(H,21,24)(H,22,23) |
| InChIKey | ZHSDZTBHAKAWLF-UHFFFAOYSA-N |
| XLogP | 22.48 |
| TPSA | 298.13 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 127 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1746.84 |
| LogP ≤ 5 | 22.48 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 13 |