C106H82F5N17O8 — CID 159171828
N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide;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 (PubChem CID 159171828) has the molecular formula C106H82F5N17O8 and a molecular weight of 1816.92 g/mol. Its IUPAC name is N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide;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.
| Compound Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide;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 |
|---|---|
| PubChem CID | 159171828 |
| Molecular Formula | C106H82F5N17O8 |
| Molecular Weight | 1816.92 g/mol |
| Exact Mass | 1815.65 |
| IUPAC Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)acetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)cyclopropanecarboxamide;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 |
| SMILES | CC(=O)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1)C1CC1.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/2C22H17FN4O2.C22H18FN3O2.C21H16FN3O.C19H14FN3O/c2*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;23-19-11-17(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;22-18-11-16(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;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/h2*1-6,9-11,18H,7-8H2,(H,24,29)(H,25,28)(H,26,27);1-6,9-11,16H,7-8,12H2,(H,24,27)(H,25,26);1-5,8-11,13H,6-7H2,(H,23,26)(H,24,25);2-10H,1H3,(H,21,24)(H,22,23)/t2*18-;;;/m10.../s1 |
| InChIKey | KLUBCOXNCYCDJM-LDQRTPSOSA-N |
| XLogP | 21.33 |
| TPSA | 356.33 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1816.92 |
| LogP ≤ 5 | 21.33 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |