C111H86F5N17O9S — CID 161360087
N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-3-carboxamide;(2S)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide (PubChem CID 161360087) has the molecular formula C111H86F5N17O9S and a molecular weight of 1929.08 g/mol. Its IUPAC name is N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-3-carboxamide;(2S)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide.
| Compound Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-3-carboxamide;(2S)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide |
|---|---|
| PubChem CID | 161360087 |
| Molecular Formula | C111H86F5N17O9S |
| Molecular Weight | 1929.08 g/mol |
| Exact Mass | 1927.64 |
| IUPAC Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-3-carboxamide;(2S)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide |
| SMILES | O=C(Cc1ccsc1)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1)C1CCCO1.O=C(Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1)C1CCOC1.O=C1CC[C@@H](C(=O)Nc2cc(F)c3n[nH]c(-c4ccc5ccccc5c4)c3c2)N1.O=C1CC[C@H](C(=O)Nc2cc(F)c3n[nH]c(-c4ccc5ccccc5c4)c3c2)N1 |
| InChI | InChI=1S/C23H16FN3OS.2C22H17FN4O2.2C22H18FN3O2/c24-20-12-18(25-21(28)9-14-7-8-29-13-14)11-19-22(26-27-23(19)20)17-6-5-15-3-1-2-4-16(15)10-17;2*23-17-11-15(24-22(29)18-7-8-19(28)25-18)10-16-20(26-27-21(16)17)14-6-5-12-3-1-2-4-13(12)9-14;23-18-12-16(24-22(27)19-6-3-9-28-19)11-17-20(25-26-21(17)18)15-8-7-13-4-1-2-5-14(13)10-15;23-19-11-17(24-22(27)16-7-8-28-12-16)10-18-20(25-26-21(18)19)15-6-5-13-3-1-2-4-14(13)9-15/h1-8,10-13H,9H2,(H,25,28)(H,26,27);2*1-6,9-11,18H,7-8H2,(H,24,29)(H,25,28)(H,26,27);1-2,4-5,7-8,10-12,19H,3,6,9H2,(H,24,27)(H,25,26);1-6,9-11,16H,7-8,12H2,(H,24,27)(H,25,26)/t;2*18-;;/m.10../s1 |
| InChIKey | VPBCTQCAKQCIJF-BNDAOIEBSA-N |
| XLogP | 22.38 |
| TPSA | 365.56 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1929.08 |
| LogP ≤ 5 | 22.38 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 15 |