C293H301F3N90O20 — CID 160965532
N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 160965532) has the molecular formula C293H301F3N90O20 and a molecular weight of 5460.24 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.
| Compound Name | N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160965532 |
| Molecular Formula | C293H301F3N90O20 |
| Molecular Weight | 5460.24 g/mol |
| Exact Mass | 5456.53 |
| IUPAC Name | N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide |
| SMILES | CCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1 |
| InChI | InChI=1S/2C26H29N7O2.2C25H24N10O.2C25H27N7O2.C24H23F2N7O2.C24H24FN7O2.C24H25N7O2.C23H23N7O2.2C23H23N7O/c2*1-6-35-21-9-7-19(8-10-21)18(5)29-26(34)24-15(2)11-20(14-27-24)25-28-16(3)12-22(31-25)30-23-13-17(4)32-33-23;1-15-10-29-35(14-15)23-7-4-18(11-27-23)12-28-25(36)20-6-5-19(13-26-20)24-30-16(2)8-21(32-24)31-22-9-17(3)33-34-22;1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35;1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23;1-5-34-20-8-6-18(7-9-20)13-27-25(33)23-15(2)10-19(14-26-23)24-28-16(3)11-21(30-24)29-22-12-17(4)31-32-22;1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26;1-14-10-21(29-22-11-15(2)31-32-22)30-23(28-14)18-6-9-20(26-13-18)24(33)27-12-17-4-7-19(8-5-17)34-16(3)25;1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22;1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16;2*1-14-4-6-17(7-5-14)12-25-23(31)19-9-8-18(13-24-19)22-26-15(2)10-20(28-22)27-21-11-16(3)29-30-21/h2*7-14,18H,6H2,1-5H3,(H,29,34)(H2,28,30,31,32,33);4-11,13-14H,12H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32);6-12,14H,5,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32);4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33);4-11,13,16H,12H2,1-3H3,(H,27,33)(H2,28,29,30,31,32);5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31);4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30);2*4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)/t2*18-;;;;;;;;;;/m10........../s1 |
| InChIKey | SXOMUOUGLQGPPJ-HNDYFGKFSA-N |
| XLogP | 49.14 |
| TPSA | 1437.02 Ų |
| H-Bond Donors | 36 |
| H-Bond Acceptors | 86 |
| Rotatable Bonds | 89 |
| Heavy Atoms | 406 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5460.24 |
| LogP ≤ 5 | 49.14 |
| H-Bond Donors ≤ 5 | 36 |
| H-Bond Acceptors ≤ 10 | 86 |