C110H100F6N20O10 — CID 158383211
N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-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;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 158383211) has the molecular formula C110H100F6N20O10 and a molecular weight of 1976.13 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-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;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
| Compound Name | N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-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;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 158383211 |
| Molecular Formula | C110H100F6N20O10 |
| Molecular Weight | 1976.13 g/mol |
| Exact Mass | 1974.78 |
| IUPAC Name | N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-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;(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.Cc1cc(NC(=O)C2CC2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)C2CCCO2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)C2CCOC2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)[C@@H]2CCC(=O)N2)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc(NC(=O)[C@H]2CCC(=O)N2)cc2c(-c3cccc(F)c3)[nH]nc12 |
| InChI | InChI=1S/2C19H17FN4O2.2C19H18FN3O2.C18H16FN3O.C16H14FN3O/c2*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;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*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);2-4,7-9,11H,5-6H2,1H3,(H,20,23)(H,21,22);3-8H,1-2H3,(H,18,21)(H,19,20)/t2*15-;;;;/m10..../s1 |
| InChIKey | GWAXHPZAWOLBJM-SDQYGQRDSA-N |
| XLogP | 20.90 |
| TPSA | 423.34 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.13 |
| LogP ≤ 5 | 20.90 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 16 |