About 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 159995339) has the molecular formula C138H167N43O8
and a molecular weight of 2556.15 g/mol. Its IUPAC name is 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
Frequently Asked Questions
What is the IUPAC name of 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 159995339) is 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(C)[C@H]1CC[C@@H]2CN(c3ncc(-c4ccc(-c5cn[nH]c5)cc4O)nn3)C[C@@H]21.CN(c1ncc(-c2ccc(-c3ccc4c(ncn4C)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CCC2CN(c3ncc(-c4ccc(-c5cn[nH]c5)cc4O)nn3)CC2C1.Cc1cc(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)[nH]c(=O)c1N.Cc1nc2c(C)cc(-c3ccc(-c4cnc(N(C)C5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)nc2o1.NC1CCC2CN(c3ncc(-c4ccc(-c5cn[nH]c5)cc4O)nn3)CC12.
What is the InChIKey of 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is OHLXLWYFFKGLNR-RUJFVVKMSA-N. The full InChI is InChI=1S/C27H33N7O2.C26H32N8O.C25H33N7O2.C21H25N7O.C20H23N7O.C19H21N7O/c1-15-10-20(30-24-23(15)29-16(2)36-24)17-8-9-19(22(35)11-17)21-14-28-25(32-31-21)34(7)18-12-26(3,4)33-27(5,6)13-18;1-25(2)12-17(13-26(3,4)32-25)34(6)24-27-14-20(30-31-24)18-8-7-16(11-22(18)35)19-9-10-21-23(29-19)28-15-33(21)5;1-14-9-18(28-22(34)21(14)26)15-7-8-17(20(33)10-15)19-13-27-23(30-29-19)32(6)16-11-24(2,3)31-25(4,5)12-16;1-27(2)19-6-4-14-11-28(12-17(14)19)21-22-10-18(25-26-21)16-5-3-13(7-20(16)29)15-8-23-24-9-15;1-26-5-4-14-11-27(12-16(14)10-26)20-21-9-18(24-25-20)17-3-2-13(6-19(17)28)15-7-22-23-8-15;20-16-4-2-12-9-26(10-15(12)16)19-21-8-17(24-25-19)14-3-1-11(5-18(14)27)13-6-22-23-7-13/h8-11,14,18,33,35H,12-13H2,1-7H3;7-11,14-15,17,32,35H,12-13H2,1-6H3;7-10,13,16,31,33H,11-12,26H2,1-6H3,(H,28,34);3,5,7-10,14,17,19,29H,4,6,11-12H2,1-2H3,(H,23,24);2-3,6-9,14,16,28H,4-5,10-12H2,1H3,(H,22,23);1,3,5-8,12,15-16,27H,2,4,9-10,20H2,(H,22,23)/t;;;14-,17+,19+;;/m...1../s1.
What are the key properties of 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 2556.15 g/mol, XLogP of 18.22, 22 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3aR,4S,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;3-amino-6-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-4-methyl-1H-pyridin-2-one;5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylimidazo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 159995339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).