About 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 161007024) has the molecular formula C134H158N30O9
and a molecular weight of 2332.94 g/mol. Its IUPAC name is 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
Frequently Asked Questions
What is the IUPAC name of 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 161007024) is 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CC[C@@H]2CN(c3ccc(-c4ccc(-c5ccn(C)c(=O)c5)cc4O)nn3)C[C@@H]21.CN1C[C@@H]2CN(c3ccc(-c4ccc(-c5ccn(C)c(=O)c5)cc4O)nn3)C[C@@H]2C1.Cn1ccc(-c2ccc(-c3ccc(N4CCC5(CCCNC5)C4)nn3)c(O)c2)cc1=O.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CCC3(CCCNC3)C2)nn1.
What is the InChIKey of 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is TWQCJUOGUINPTO-BYYAKFPJSA-N. The full InChI is InChI=1S/C24H27N5O2.2C23H25N5O2.C23H29N5O.C21H24N6O.C20H28N4O/c1-28-11-7-18(14-23(28)31)17-3-4-19(21(30)13-17)20-5-6-22(27-26-20)29-12-9-24(16-29)8-2-10-25-15-24;1-26-9-8-17-13-28(14-20(17)26)22-6-5-19(24-25-22)18-4-3-15(11-21(18)29)16-7-10-27(2)23(30)12-16;1-26-11-17-13-28(14-18(17)12-26)22-6-5-20(24-25-22)19-4-3-15(9-21(19)29)16-7-8-27(2)23(30)10-16;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29;28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21;1-19(2)12-14(13-20(3,4)23-19)24(5)18-11-10-16(21-22-18)15-8-6-7-9-17(15)25/h3-7,11,13-14,25,30H,2,8-10,12,15-16H2,1H3;3-7,10-12,17,20,29H,8-9,13-14H2,1-2H3;3-10,17-18,29H,11-14H2,1-2H3;6-12,16,27,29H,13-14H2,1-5H3;2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24);6-11,14,23,25H,12-13H2,1-5H3/t;17-,20+;17-,18+;;;/m.1..../s1.
What are the key properties of 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 2332.94 g/mol, XLogP of 17.92, 18 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;4-[4-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 161007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).