C180H139F37N50O9 — CID 163612273
2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 163612273) has the molecular formula C180H139F37N50O9 and a molecular weight of 3849.36 g/mol. Its IUPAC name is 2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine.
| Compound Name | 2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine |
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| PubChem CID | 163612273 |
| Molecular Formula | C180H139F37N50O9 |
| Molecular Weight | 3849.36 g/mol |
| Exact Mass | 3847.14 |
| IUPAC Name | 2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine |
| SMILES | COCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1nc2ccccc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(NCCO)cc(Nc2ccc(OC(F)F)cc2)n1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.FC(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.Fc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.Fc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)F)cc4)n3)n2c1 |
| InChI | InChI=1S/C22H21F3N6O.C22H22F2N6O2.C21H19F3N6O.C21H20F2N6O2.C19H10F7N5.C19H11F6N5O.C19H11F6N5.C19H14F3N5O.C18H11F5N6O/c1-14-27-17-5-3-4-6-18(17)31(14)21-29-19(26-11-12-32-2)13-20(30-21)28-16-9-7-15(8-10-16)22(23,24)25;1-14-26-17-5-3-4-6-18(17)30(14)22-28-19(25-11-12-31-2)13-20(29-22)27-15-7-9-16(10-8-15)32-21(23)24;1-13-26-16-4-2-3-5-17(16)30(13)20-28-18(25-10-11-31)12-19(29-20)27-15-8-6-14(7-9-15)21(22,23)24;1-13-25-16-4-2-3-5-17(16)29(13)21-27-18(24-10-11-30)12-19(28-21)26-14-6-8-15(9-7-14)31-20(22)23;20-11-3-6-14-30-16(19(24,25)26)15(31(14)9-11)17-27-8-7-13(29-17)28-12-4-1-10(2-5-12)18(21,22)23;20-10-1-6-14-29-16(19(23,24)25)15(30(14)9-10)17-26-8-7-13(28-17)27-11-2-4-12(5-3-11)31-18(21)22;20-18(21,22)11-4-6-12(7-5-11)27-14-8-9-26-17(28-14)15-13-3-1-2-10-30(13)29-16(15)19(23,24)25;1-28-13-7-5-12(6-8-13)24-15-9-10-23-18(25-15)16-14-4-2-3-11-27(14)26-17(16)19(20,21)22;19-17(20)30-11-3-1-10(2-4-11)26-12-5-6-25-16(27-12)14-15(18(21,22)23)28-13-9-24-7-8-29(13)14/h3-10,13H,11-12H2,1-2H3,(H2,26,28,29,30);3-10,13,21H,11-12H2,1-2H3,(H2,25,27,28,29);2-9,12,31H,10-11H2,1H3,(H2,25,27,28,29);2-9,12,20,30H,10-11H2,1H3,(H2,24,26,27,28);1-9H,(H,27,28,29);1-9,18H,(H,26,27,28);1-10H,(H,26,27,28);2-11H,1H3,(H,23,24,25);1-9,17H,(H,25,26,27) |
| InChIKey | HGYXATRZZYMVLW-UHFFFAOYSA-N |
| XLogP | 43.33 |
| TPSA | 664.15 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 276 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3849.36 |
| LogP ≤ 5 | 43.33 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 59 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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