C96H82F3N19O7 — CID 167569684
N-[(5-cyano-1H-indazol-7-yl)methyl]-6-(3-cyanophenyl)-5-ethoxy-N-methylpyridine-3-carboxamide;N-[(5-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide;3-cyclopropyl-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridazine-3-carboxamide (PubChem CID 167569684) has the molecular formula C96H82F3N19O7 and a molecular weight of 1670.83 g/mol. Its IUPAC name is N-[(5-cyano-1H-indazol-7-yl)methyl]-6-(3-cyanophenyl)-5-ethoxy-N-methylpyridine-3-carboxamide;N-[(5-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide;3-cyclopropyl-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridazine-3-carboxamide.
| Compound Name | N-[(5-cyano-1H-indazol-7-yl)methyl]-6-(3-cyanophenyl)-5-ethoxy-N-methylpyridine-3-carboxamide;N-[(5-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide;3-cyclopropyl-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridazine-3-carboxamide |
|---|---|
| PubChem CID | 167569684 |
| Molecular Formula | C96H82F3N19O7 |
| Molecular Weight | 1670.83 g/mol |
| Exact Mass | 1669.66 |
| IUPAC Name | N-[(5-cyano-1H-indazol-7-yl)methyl]-6-(3-cyanophenyl)-5-ethoxy-N-methylpyridine-3-carboxamide;N-[(5-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide;3-cyclopropyl-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridazine-3-carboxamide |
| SMILES | CCOc1cc(C(=O)N(C)Cc2cc(C#N)cc3cn[nH]c23)cnc1-c1cccc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cc(C#N)cc3cn[nH]c23)cnc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)nnc1-c1cccc(F)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(C2CC2)c1 |
| InChI | InChI=1S/C25H22FN3O.C25H20N6O2.C24H20FN5O2.C22H20FN5O2/c1-29(15-20-6-2-5-19-14-27-28-24(19)20)25(30)18-10-11-22(23(13-18)16-8-9-16)17-4-3-7-21(26)12-17;1-3-33-22-10-20(13-28-24(22)18-6-4-5-16(7-18)11-26)25(32)31(2)15-21-9-17(12-27)8-19-14-29-30-23(19)21;1-3-32-21-10-18(12-27-23(21)16-5-4-6-20(25)9-16)24(31)30(2)14-19-8-15(11-26)7-17-13-28-29-22(17)19;1-3-30-19-11-18(25-27-21(19)14-6-5-9-17(23)10-14)22(29)28(2)13-16-8-4-7-15-12-24-26-20(15)16/h2-7,10-14,16H,8-9,15H2,1H3,(H,27,28);4-10,13-14H,3,15H2,1-2H3,(H,29,30);4-10,12-13H,3,14H2,1-2H3,(H,28,29);4-12H,3,13H2,1-2H3,(H,24,26) |
| InChIKey | FSXDDPONWDXRDX-UHFFFAOYSA-N |
| XLogP | 17.69 |
| TPSA | 346.58 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1670.83 |
| LogP ≤ 5 | 17.69 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |