C125H132N40O14 — CID 161355979
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)pyrazol-1-yl]methyl]-1-propan-2-ylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(1S)-1-(1-hydroxycyclopropyl)ethyl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-methylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3S)-oxolan-3-yl]pyridin-2-one;3-[[4-(2-amino-8-methylquinazolin-4-yl)pyrazol-1-yl]methyl]-1-ethylpyridin-2-one;methane (PubChem CID 161355979) has the molecular formula C125H132N40O14 and a molecular weight of 2418.70 g/mol. Its IUPAC name is 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)pyrazol-1-yl]methyl]-1-propan-2-ylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(1S)-1-(1-hydroxycyclopropyl)ethyl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-methylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3S)-oxolan-3-yl]pyridin-2-one;3-[[4-(2-amino-8-methylquinazolin-4-yl)pyrazol-1-yl]methyl]-1-ethylpyridin-2-one;methane.
| Compound Name | 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)pyrazol-1-yl]methyl]-1-propan-2-ylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(1S)-1-(1-hydroxycyclopropyl)ethyl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-methylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3S)-oxolan-3-yl]pyridin-2-one;3-[[4-(2-amino-8-methylquinazolin-4-yl)pyrazol-1-yl]methyl]-1-ethylpyridin-2-one;methane |
|---|---|
| PubChem CID | 161355979 |
| Molecular Formula | C125H132N40O14 |
| Molecular Weight | 2418.70 g/mol |
| Exact Mass | 2417.08 |
| IUPAC Name | 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)pyrazol-1-yl]methyl]-1-propan-2-ylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(1S)-1-(1-hydroxycyclopropyl)ethyl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-methylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3S)-oxolan-3-yl]pyridin-2-one;3-[[4-(2-amino-8-methylquinazolin-4-yl)pyrazol-1-yl]methyl]-1-ethylpyridin-2-one;methane |
| SMILES | C.CCn1cccc(Cn2cc(-c3nc(N)nc4c(C)cccc34)cn2)c1=O.COc1cccc2c(-c3cn(Cc4cccn(C)c4=O)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4cccn([C@@H](C)C(C)(C)O)c4=O)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4cccn([C@@H](C)C5(O)CC5)c4=O)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4cccn([C@H]5CCOC5)c4=O)nn3)nc(N)nc12.COc1cccc2c(-c3cnn(Cc4cccn(C(C)C)c4=O)c3)nc(N)nc12 |
| InChI | InChI=1S/C22H23N7O3.C22H25N7O3.C21H21N7O3.C21H22N6O2.C20H20N6O.C18H17N7O2.CH4/c1-13(22(31)8-9-22)29-10-4-5-14(20(29)30)11-28-12-16(26-27-28)18-15-6-3-7-17(32-2)19(15)25-21(23)24-18;1-13(22(2,3)31)29-10-6-7-14(20(29)30)11-28-12-16(26-27-28)18-15-8-5-9-17(32-4)19(15)25-21(23)24-18;1-30-17-6-2-5-15-18(23-21(22)24-19(15)17)16-11-27(26-25-16)10-13-4-3-8-28(20(13)29)14-7-9-31-12-14;1-13(2)27-9-5-6-14(20(27)28)11-26-12-15(10-23-26)18-16-7-4-8-17(29-3)19(16)25-21(22)24-18;1-3-25-9-5-7-14(19(25)27)11-26-12-15(10-22-26)18-16-8-4-6-13(2)17(16)23-20(21)24-18;1-24-8-4-5-11(17(24)26)9-25-10-13(22-23-25)15-12-6-3-7-14(27-2)16(12)21-18(19)20-15;/h3-7,10,12-13,31H,8-9,11H2,1-2H3,(H2,23,24,25);5-10,12-13,31H,11H2,1-4H3,(H2,23,24,25);2-6,8,11,14H,7,9-10,12H2,1H3,(H2,22,23,24);4-10,12-13H,11H2,1-3H3,(H2,22,24,25);4-10,12H,3,11H2,1-2H3,(H2,21,23,24);3-8,10H,9H2,1-2H3,(H2,19,20,21);1H4/t2*13-;14-;;;;/m000..../s1 |
| InChIKey | VONYEPQGPJSCQC-FBJNYKNTSA-N |
| XLogP | 12.80 |
| TPSA | 697.12 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2418.70 |
| LogP ≤ 5 | 12.80 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 54 |