C106H95F4N31O10 — CID 159908735
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 159908735) has the molecular formula C106H95F4N31O10 and a molecular weight of 2039.12 g/mol. Its IUPAC name is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.
| Compound Name | 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 159908735 |
| Molecular Formula | C106H95F4N31O10 |
| Molecular Weight | 2039.12 g/mol |
| Exact Mass | 2037.78 |
| IUPAC Name | 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide |
| SMILES | CCN(C)C(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F |
| InChI | InChI=1S/C28H24FN9O2.C27H24FN7O4.C26H24FN7O2.C25H23FN8O2/c1-4-38(3)28(39)24-26(32-14-33-27(24)40-22-8-7-18-17(25(22)29)11-15(2)34-18)35-23-13-20(36-37-23)16-5-6-19-21(12-16)31-10-9-30-19;1-4-35(3)27(36)23-25(32-22-11-18(33-34-22)15-5-7-19-21(10-15)38-13-37-19)29-12-30-26(23)39-20-8-6-17-16(24(20)28)9-14(2)31-17;1-4-34(3)26(35)22-24(31-21-13-19(32-33-21)16-8-6-5-7-9-16)28-14-29-25(22)36-20-11-10-18-17(23(20)27)12-15(2)30-18;1-4-34(3)25(35)21-23(31-20-12-18(32-33-20)17-7-5-6-10-27-17)28-13-29-24(21)36-19-9-8-16-15(22(19)26)11-14(2)30-16/h5-14,34H,4H2,1-3H3,(H2,32,33,35,36,37);5-12,31H,4,13H2,1-3H3,(H2,29,30,32,33,34);5-14,30H,4H2,1-3H3,(H2,28,29,31,32,33);5-13,30H,4H2,1-3H3,(H2,28,29,31,32,33) |
| InChIKey | NWXDUFRARXSXMR-UHFFFAOYSA-N |
| XLogP | 20.76 |
| TPSA | 504.41 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2039.12 |
| LogP ≤ 5 | 20.76 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |