7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide
C159H126Cl3F4N51O20 — CID 157092803
Data last refreshed: (MolForge compound catalog, from PubChem)
About 7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide
7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 157092803) has the molecular formula C159H126Cl3F4N51O20 and a molecular weight of 3253.44 g/mol. Its IUPAC name is 7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | 7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 157092803 |
| Molecular Formula | C159H126Cl3F4N51O20 |
| Molecular Weight | 3253.44 g/mol |
| Exact Mass | 3249.94 |
| IUPAC Name | 7-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;N-[(4-benzyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-7-(2-benzyltetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide;7-(2-benzyltetrazol-5-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide;7-chloro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-N-[(4-fluorophenyl)methyl]-4-N-[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]bicyclo[2.2.2]octane-1,4-dicarboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(triazolo[4,5-b]pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidine-5-carboxamide |
| SMILES | CC(=O)Nc1ccc(-c2noc(-c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4ncnn34)n2)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1ccn2ncnc2n1.O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C23CCC(C(=O)NCc4ccc(F)cc4)(CC2)CC3)n2nccc2n1.O=C(NCc1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2)c1cc(-c2nnn(Cc3ccccc3)n2)n2nccc2n1.O=C1COc2ccc(CNC(=O)c3cc(-c4nnn(Cc5ccccc5)n4)n4nccc4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(Cl)n4nccc4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(On4nnc5cccnc54)n4nccc4n3)cc2N1 |
| InChI | InChI=1S/C31H30F2N6O3.C31H25N9O3.C24H19N9O3.C23H16ClFN8O3.C21H15N9O4.C16H12ClN5O3.C13H9ClFN5O/c32-22-5-1-20(2-6-22)18-34-27(40)24-17-26(39-25(37-24)9-16-36-39)38-29(42)31-13-10-30(11-14-31,12-15-31)28(41)35-19-21-3-7-23(33)8-4-21;41-29-20-43-27-12-11-23(15-25(27)38(29)18-21-7-3-1-4-8-21)17-32-31(42)24-16-26(40-28(34-24)13-14-33-40)30-35-37-39(36-30)19-22-9-5-2-6-10-22;34-22-14-36-20-7-6-16(10-17(20)28-22)12-25-24(35)18-11-19(33-21(27-18)8-9-26-33)23-29-31-32(30-23)13-15-4-2-1-3-5-15;1-12(34)29-15-5-3-14(4-6-15)20-31-22(36-32-20)19-9-18(30-23-27-11-28-33(19)23)21(35)26-10-13-2-7-17(25)16(24)8-13;31-18-11-33-16-4-3-12(8-14(16)26-18)10-23-21(32)15-9-19(29-17(25-15)5-7-24-29)34-30-20-13(27-28-30)2-1-6-22-20;17-13-6-11(20-14-3-4-19-22(13)14)16(24)18-7-9-1-2-12-10(5-9)21-15(23)8-25-12;14-9-5-8(1-2-10(9)15)6-16-12(21)11-3-4-20-13(19-11)17-7-18-20/h1-9,16-17H,10-15,18-19H2,(H,34,40)(H,35,41)(H,38,42);1-16H,17-20H2,(H,32,42);1-11H,12-14H2,(H,25,35)(H,28,34);2-9,11H,10H2,1H3,(H,26,35)(H,29,34);1-9H,10-11H2,(H,23,32)(H,26,31);1-6H,7-8H2,(H,18,24)(H,21,23);1-5,7H,6H2,(H,16,21) |
| InChIKey | AEVZXHABTCGQJQ-UHFFFAOYSA-N |
| XLogP | 17.50 |
| TPSA | 851.59 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 237 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3253.44 |
| LogP ≤ 5 | 17.50 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 57 |
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