C117H102F6N20O10 — CID 167570465
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 167570465) has the molecular formula C117H102F6N20O10 and a molecular weight of 2062.22 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide.
| Compound Name | N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide |
|---|---|
| PubChem CID | 167570465 |
| Molecular Formula | C117H102F6N20O10 |
| Molecular Weight | 2062.22 g/mol |
| Exact Mass | 2060.80 |
| IUPAC Name | N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide |
| SMILES | CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1F.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)n1.COc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(F)c1 |
| InChI | InChI=1S/C25H21FN4O2.C24H21FN4O2.2C23H21FN4O2.C22H18F2N4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22;1-29(14-17-6-2-5-16-13-26-28-22(16)17)24(30)21-11-10-20(15-4-3-7-18(25)12-15)23(27-21)31-19-8-9-19;1-3-30-22-19(15-6-5-9-18(24)12-15)10-11-20(26-22)23(29)28(2)14-17-8-4-7-16-13-25-27-21(16)17;1-3-30-22-18(17-9-4-5-10-19(17)24)11-12-20(26-22)23(29)28(2)14-16-8-6-7-15-13-25-27-21(15)16;1-28(12-14-5-3-4-13-11-25-27-20(13)14)22(29)19-7-6-18(21(26-19)30-2)15-8-16(23)10-17(24)9-15/h4-12,14H,3,15H2,1-2H3,(H,28,29);2-7,10-13,19H,8-9,14H2,1H3,(H,26,28);2*4-13H,3,14H2,1-2H3,(H,25,27);3-11H,12H2,1-2H3,(H,25,27) |
| InChIKey | FVNKTJHCNJGKRQ-UHFFFAOYSA-N |
| XLogP | 22.54 |
| TPSA | 366.45 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2062.22 |
| LogP ≤ 5 | 22.54 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |