C173H141F9N66O11S — CID 159316014
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide (PubChem CID 159316014) has the molecular formula C173H141F9N66O11S and a molecular weight of 3523.53 g/mol. Its IUPAC name is 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide.
| Compound Name | 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide |
|---|---|
| PubChem CID | 159316014 |
| Molecular Formula | C173H141F9N66O11S |
| Molecular Weight | 3523.53 g/mol |
| Exact Mass | 3521.21 |
| IUPAC Name | 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide |
| SMILES | Cc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ncn1.Cc1ncc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)s1.Cc1nccc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)n1.Cc1nn(CC(=O)Nc2ccc(-c3cncnc3)cn2)c(C)c1-c1ccnc(C(F)(F)F)c1.Cc1noc(C)c1-c1cnn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c1.O=C(Cn1cc(-c2ccnc(C(F)(F)F)c2)cn1)Nc1ccc(-c2cncnc2)cn1.O=C(Cn1cc(-c2ccnc(C(F)(F)F)n2)cn1)Nc1ccc(-c2cnccn2)cn1.O=C(Cn1cc(-c2ccncn2)cn1)Nc1ccc(-c2cnccn2)cn1.O=C(Cn1cc(C2=CCOCC2)cn1)Nc1ccc(-c2cnccn2)cn1 |
| InChI | InChI=1S/C22H18F3N7O.C20H14F3N7O.C19H13F3N8O.2C19H16N8O.C19H17N7O2.C19H18N6O2.C18H14N8O.C18H15N7OS/c1-13-21(15-5-6-28-18(7-15)22(23,24)25)14(2)32(31-13)11-20(33)30-19-4-3-16(10-29-19)17-8-26-12-27-9-17;21-20(22,23)17-5-13(3-4-26-17)16-9-28-30(10-16)11-19(31)29-18-2-1-14(8-27-18)15-6-24-12-25-7-15;20-19(21,22)18-25-4-3-14(28-18)13-8-27-30(10-13)11-17(31)29-16-2-1-12(7-26-16)15-9-23-5-6-24-15;1-13-6-16(24-12-23-13)15-8-25-27(10-15)11-19(28)26-18-3-2-14(7-22-18)17-9-20-4-5-21-17;1-13-21-5-4-16(25-13)15-9-24-27(11-15)12-19(28)26-18-3-2-14(8-23-18)17-10-20-6-7-22-17;1-12-19(13(2)28-25-12)15-8-23-26(10-15)11-18(27)24-17-4-3-14(7-22-17)16-9-20-5-6-21-16;26-19(13-25-12-16(10-23-25)14-3-7-27-8-4-14)24-18-2-1-15(9-22-18)17-11-20-5-6-21-17;27-18(11-26-10-14(8-24-26)15-3-4-20-12-23-15)25-17-2-1-13(7-22-17)16-9-19-5-6-21-16;1-12-21-9-16(27-12)14-7-23-25(10-14)11-18(26)24-17-3-2-13(6-22-17)15-8-19-4-5-20-15/h3-10,12H,11H2,1-2H3,(H,29,30,33);1-10,12H,11H2,(H,27,29,31);1-10H,11H2,(H,26,29,31);2-10,12H,11H2,1H3,(H,22,26,28);2-11H,12H2,1H3,(H,23,26,28);3-10H,11H2,1-2H3,(H,22,24,27);1-3,5-6,9-12H,4,7-8,13H2,(H,22,24,26);1-10,12H,11H2,(H,22,25,27);2-10H,11H2,1H3,(H,22,24,26) |
| InChIKey | LDDITCULVRDZFY-UHFFFAOYSA-N |
| XLogP | 24.11 |
| TPSA | 947.36 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 69 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 260 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3523.53 |
| LogP ≤ 5 | 24.11 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 69 |