C174H151N67O11 — CID 157318676
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)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-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-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 (PubChem CID 157318676) has the molecular formula C174H151N67O11 and a molecular weight of 3356.58 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-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)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-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-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.
| Compound Name | 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)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-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-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 |
|---|---|
| PubChem CID | 157318676 |
| Molecular Formula | C174H151N67O11 |
| Molecular Weight | 3356.58 g/mol |
| Exact Mass | 3354.33 |
| IUPAC Name | 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)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-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-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 |
| SMILES | Cc1cc(-c2c(C)nn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2C)ccn1.Cc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1.Cc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ncn1.Cc1cc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ncn1.Cc1nccc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)n1.Cc1nccc(-c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)n1.Cc1noc(C)c1-c1cnn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c1.O=C(Cn1cc(-c2ccncn2)cn1)Nc1ccc(-c2cnccn2)cn1.O=C(Cn1cc(C2=CCOCC2)cn1)Nc1ccc(-c2cnccn2)cn1 |
| InChI | InChI=1S/C22H21N7O.C20H17N7O.4C19H16N8O.C19H17N7O2.C19H18N6O2.C18H14N8O/c1-14-10-17(6-7-24-14)22-15(2)28-29(16(22)3)13-21(30)27-20-5-4-18(11-26-20)19-12-23-8-9-25-19;1-14-8-15(4-5-22-14)17-10-25-27(12-17)13-20(28)26-19-3-2-16(9-24-19)18-11-21-6-7-23-18;2*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;2*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/h4-12H,13H2,1-3H3,(H,26,27,30);2-12H,13H2,1H3,(H,24,26,28);2*2-10,12H,11H2,1H3,(H,22,26,28);2*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) |
| InChIKey | BDXDSVPQLOCURB-UHFFFAOYSA-N |
| XLogP | 21.32 |
| TPSA | 960.25 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 69 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 252 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3356.58 |
| LogP ≤ 5 | 21.32 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 69 |