C129H109F20N29O19 — CID 163574250
2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;N-[[3-[2-(dimethylamino)phenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-methoxy-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163574250) has the molecular formula C129H109F20N29O19 and a molecular weight of 2749.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;N-[[3-[2-(dimethylamino)phenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-methoxy-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
| Compound Name | 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;N-[[3-[2-(dimethylamino)phenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-methoxy-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide |
|---|---|
| PubChem CID | 163574250 |
| Molecular Formula | C129H109F20N29O19 |
| Molecular Weight | 2749.43 g/mol |
| Exact Mass | 2747.81 |
| IUPAC Name | 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;N-[[3-[2-(dimethylamino)phenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-methoxy-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(4-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide |
| SMILES | CN(C)c1ccccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2OC(F)F)[nH]n1.COc1cccnc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.COc1ccncc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccncc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)(F)F)n1.O=C(NCc1cc(-c2cccc3cn[nH]c23)n[nH]1)c1ccccc1OC(F)(F)F |
| InChI | InChI=1S/C20H19F3N4O2.C19H14F3N5O2.C19H16F3N3O3.C19H17F2N3O3.C18H15F3N4O3.2C17H14F3N5O3/c1-27(2)17-9-5-3-7-14(17)16-11-13(25-26-16)12-24-19(28)15-8-4-6-10-18(15)29-20(21,22)23;20-19(21,22)29-16-7-2-1-5-14(16)18(28)23-10-12-8-15(26-25-12)13-6-3-4-11-9-24-27-17(11)13;1-27-16-8-4-2-6-13(16)15-10-12(24-25-15)11-23-18(26)14-7-3-5-9-17(14)28-19(20,21)22;1-26-16-8-4-2-6-13(16)15-10-12(23-24-15)11-22-18(25)14-7-3-5-9-17(14)27-19(20)21;1-27-15-6-7-22-10-13(15)14-8-11(24-25-14)9-23-17(26)12-4-2-3-5-16(12)28-18(19,20)21;1-27-12-7-4-8-21-14(12)15-23-13(24-25-15)9-22-16(26)10-5-2-3-6-11(10)28-17(18,19)20;1-27-12-6-7-21-8-11(12)15-23-14(24-25-15)9-22-16(26)10-4-2-3-5-13(10)28-17(18,19)20/h3-11H,12H2,1-2H3,(H,24,28)(H,25,26);1-9H,10H2,(H,23,28)(H,24,27)(H,25,26);2-10H,11H2,1H3,(H,23,26)(H,24,25);2-10,19H,11H2,1H3,(H,22,25)(H,23,24);2-8,10H,9H2,1H3,(H,23,26)(H,24,25);2*2-8H,9H2,1H3,(H,22,26)(H,23,24,25) |
| InChIKey | GCAZBFJYAAYMAZ-UHFFFAOYSA-N |
| XLogP | 24.00 |
| TPSA | 611.59 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2749.43 |
| LogP ≤ 5 | 24.00 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 33 |