C108H113FN48O7 — CID 160932457
4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine (PubChem CID 160932457) has the molecular formula C108H113FN48O7 and a molecular weight of 2214.42 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine.
| Compound Name | 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine |
|---|---|
| PubChem CID | 160932457 |
| Molecular Formula | C108H113FN48O7 |
| Molecular Weight | 2214.42 g/mol |
| Exact Mass | 2212.99 |
| IUPAC Name | 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine |
| SMILES | COc1c(F)ccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C5CC5)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12 |
| InChI | InChI=1S/C19H20N8O2.C19H20N8O.C18H19FN8O.C18H18N8O.C18H20N8O.C16H16N8O/c1-28-16-4-2-3-14-17(21-19(20)22-18(14)16)15-10-26(25-23-15)9-12-5-7-27(24-12)13-6-8-29-11-13;1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-10(2)27-7-6-11(24-27)8-26-9-14(23-25-26)15-12-4-5-13(19)17(28-3)16(12)22-18(20)21-15;1-27-15-4-2-3-13-16(20-18(19)21-17(13)15)14-10-25(24-22-14)9-11-7-8-26(23-11)12-5-6-12;1-11(2)26-8-7-12(23-26)9-25-10-14(22-24-25)16-13-5-4-6-15(27-3)17(13)21-18(19)20-16;1-23-7-6-10(21-23)8-24-9-12(20-22-24)14-11-4-3-5-13(25-2)15(11)19-16(17)18-14/h2-5,7,10,13H,6,8-9,11H2,1H3,(H2,20,21,22);2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-7,9-10H,8H2,1-3H3,(H2,20,21,22);2-4,7-8,10,12H,5-6,9H2,1H3,(H2,19,20,21);4-8,10-11H,9H2,1-3H3,(H2,19,20,21);3-7,9H,8H2,1-2H3,(H2,17,18,19)/t13-;14-;;;;/m10..../s1 |
| InChIKey | STLBPUNXVDDBKP-DHNIOWMLSA-N |
| XLogP | 11.74 |
| TPSA | 666.59 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2214.42 |
| LogP ≤ 5 | 11.74 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 55 |