C170H137F5N68O10S2 — CID 157350990
2-[4-(2-cyano-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-[2-(difluoromethyl)-4-pyridinyl]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-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(1-methyltriazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-5-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-(1,2-thiazol-4-yl)pyrazol-1-yl]acetamide (PubChem CID 157350990) has the molecular formula C170H137F5N68O10S2 and a molecular weight of 3451.56 g/mol. Its IUPAC name is 2-[4-(2-cyano-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-[2-(difluoromethyl)-4-pyridinyl]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-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(1-methyltriazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-5-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-(1,2-thiazol-4-yl)pyrazol-1-yl]acetamide.
| Compound Name | 2-[4-(2-cyano-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-[2-(difluoromethyl)-4-pyridinyl]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-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(1-methyltriazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-5-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-(1,2-thiazol-4-yl)pyrazol-1-yl]acetamide |
|---|---|
| PubChem CID | 157350990 |
| Molecular Formula | C170H137F5N68O10S2 |
| Molecular Weight | 3451.56 g/mol |
| Exact Mass | 3449.17 |
| IUPAC Name | 2-[4-(2-cyano-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-[2-(difluoromethyl)-4-pyridinyl]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-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(1-methyltriazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-5-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-(1,2-thiazol-4-yl)pyrazol-1-yl]acetamide |
| SMILES | COc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1.Cc1ncsc1-c1cnn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c1.Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1ccnc(C(F)(F)F)c1.Cn1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)nn1.Cn1nccc1-c1cnn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c1.N#Cc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1.O=C(Cn1cc(-c2ccnc(C(F)F)c2)cn1)Nc1ccc(-c2cnccn2)cn1.O=C(Cn1cc(-c2cncnc2)cn1)Nc1ccc(-c2cnccn2)cn1.O=C(Cn1cc(-c2cnsc2)cn1)Nc1ccc(-c2cnccn2)cn1 |
| InChI | InChI=1S/C22H18F3N7O.C20H15F2N7O.C20H14N8O.C20H17N7O2.C18H16N8O.C18H14N8O.C18H15N7OS.C17H15N9O.C17H13N7OS/c1-13-21(15-5-6-28-18(9-15)22(23,24)25)14(2)32(31-13)12-20(33)30-19-4-3-16(10-29-19)17-11-26-7-8-27-17;21-20(22)16-7-13(3-4-24-16)15-9-27-29(11-15)12-19(30)28-18-2-1-14(8-26-18)17-10-23-5-6-25-17;21-8-17-7-14(3-4-23-17)16-10-26-28(12-16)13-20(29)27-19-2-1-15(9-25-19)18-11-22-5-6-24-18;1-29-20-8-14(4-5-23-20)16-10-25-27(12-16)13-19(28)26-18-3-2-15(9-24-18)17-11-21-6-7-22-17;1-25-16(4-5-22-25)14-9-23-26(11-14)12-18(27)24-17-3-2-13(8-21-17)15-10-19-6-7-20-15;27-18(11-26-10-15(8-24-26)14-5-20-12-21-6-14)25-17-2-1-13(7-23-17)16-9-19-3-4-22-16;1-12-18(27-11-22-12)14-7-23-25(9-14)10-17(26)24-16-3-2-13(6-21-16)15-8-19-4-5-20-15;1-25-10-15(23-24-25)13-7-21-26(9-13)11-17(27)22-16-3-2-12(6-20-16)14-8-18-4-5-19-14;25-17(10-24-9-13(6-21-24)14-7-22-26-11-14)23-16-2-1-12(5-20-16)15-8-18-3-4-19-15/h3-11H,12H2,1-2H3,(H,29,30,33);1-11,20H,12H2,(H,26,28,30);1-7,9-12H,13H2,(H,25,27,29);2-12H,13H2,1H3,(H,24,26,28);2-11H,12H2,1H3,(H,21,24,27);1-10,12H,11H2,(H,23,25,27);2-9,11H,10H2,1H3,(H,21,24,26);2-10H,11H2,1H3,(H,20,22,27);1-9,11H,10H2,(H,20,23,25) |
| InChIKey | BHNKIXXUVDIBTC-UHFFFAOYSA-N |
| XLogP | 22.27 |
| TPSA | 954.98 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 255 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3451.56 |
| LogP ≤ 5 | 22.27 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 71 |