C92H81F4N17O9 — CID 167591659
4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;4-(cyclopropanecarbonyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (PubChem CID 167591659) has the molecular formula C92H81F4N17O9 and a molecular weight of 1644.76 g/mol. Its IUPAC name is 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;4-(cyclopropanecarbonyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.
| Compound Name | 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;4-(cyclopropanecarbonyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 167591659 |
| Molecular Formula | C92H81F4N17O9 |
| Molecular Weight | 1644.76 g/mol |
| Exact Mass | 1643.63 |
| IUPAC Name | 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;4-(cyclopropanecarbonyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide |
| SMILES | CCOc1cc(C(=O)N(C)Cc2cc(F)cc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1C(=O)C1CC1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(F)c1.COc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1 |
| InChI | InChI=1S/C25H20F2N4O2.C23H18FN5O2.C22H20FN5O2.C22H23N3O3/c1-3-33-23-11-16(4-5-22(23)17-6-15(12-28)7-20(26)8-17)25(32)31(2)14-19-10-21(27)9-18-13-29-30-24(18)19;1-29(13-16-5-3-4-15-12-26-28-21(15)16)23(30)20-7-6-19(22(27-20)31-2)17-8-14(11-25)9-18(24)10-17;1-3-30-19-8-15(11-25-21(19)14-5-4-6-18(23)7-14)22(29)28(2)13-17-10-24-9-16-12-26-27-20(16)17;1-3-28-19-11-15(9-10-18(19)21(26)14-7-8-14)22(27)25(2)13-17-6-4-5-16-12-23-24-20(16)17/h4-11,13H,3,14H2,1-2H3,(H,29,30);3-10,12H,13H2,1-2H3,(H,26,28);4-12H,3,13H2,1-2H3,(H,26,27);4-6,9-12,14H,3,7-8,13H2,1-2H3,(H,23,24) |
| InChIKey | INCPYWMXYSLCMN-UHFFFAOYSA-N |
| XLogP | 16.62 |
| TPSA | 336.20 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 122 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1644.76 |
| LogP ≤ 5 | 16.62 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |