5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
C128H160N24O11 — CID 159422937
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1.CN(C)c1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.CN(c1ccc(-c2ccc(-c3ccn(C)c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)ccn1.Cn1ccc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cc1=O
InChIInChI=1S/C27H36N6O.2C26H33N5O2.C25H30N4O3.C24H28N4O3/c1-26(2)15-20(16-27(3,4)31-26)33(7)25-13-11-22(29-30-25)21-10-8-18(14-23(21)34)19-9-12-24(28-17-19)32(5)6;1-25(2)15-19(16-26(3,4)29-25)31(6)23-10-9-21(27-28-23)20-8-7-17(13-22(20)32)18-11-12-30(5)24(33)14-18;1-25(2)15-19(16-26(3,4)30-25)31(5)23-10-9-21(28-29-23)20-8-7-17(13-22(20)32)18-11-12-27-24(14-18)33-6;1-24(2)14-18(15-25(3,4)28-24)32-22-9-8-20(26-27-22)19-7-6-16(12-21(19)30)17-10-11-29(5)23(31)13-17;1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h8-14,17,20,31,34H,15-16H2,1-7H3;7-14,19,29,32H,15-16H2,1-6H3;7-14,19,30,32H,15-16H2,1-6H3;6-13,18,28,30H,14-15H2,1-5H3;5-12,17,28-29H,13-14H2,1-4H3,(H,25,30)
InChIKeyLPZJXFASJDVONB-UHFFFAOYSA-N
MW2210.84 g/mol
LogP21.14
Rot. Bonds22
About 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 159422937) has the molecular formula C128H160N24O11 and a molecular weight of 2210.84 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
Molecular Properties
| Compound Name | 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol |
|---|---|
| PubChem CID | 159422937 |
| Molecular Formula | C128H160N24O11 |
| Molecular Weight | 2210.84 g/mol |
| Exact Mass | 2209.27 |
| IUPAC Name | 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol |
| SMILES | CC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1.CN(C)c1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.CN(c1ccc(-c2ccc(-c3ccn(C)c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)ccn1.Cn1ccc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cc1=O |
| InChI | InChI=1S/C27H36N6O.2C26H33N5O2.C25H30N4O3.C24H28N4O3/c1-26(2)15-20(16-27(3,4)31-26)33(7)25-13-11-22(29-30-25)21-10-8-18(14-23(21)34)19-9-12-24(28-17-19)32(5)6;1-25(2)15-19(16-26(3,4)29-25)31(6)23-10-9-21(27-28-23)20-8-7-17(13-22(20)32)18-11-12-30(5)24(33)14-18;1-25(2)15-19(16-26(3,4)30-25)31(5)23-10-9-21(28-29-23)20-8-7-17(13-22(20)32)18-11-12-27-24(14-18)33-6;1-24(2)14-18(15-25(3,4)28-24)32-22-9-8-20(26-27-22)19-7-6-16(12-21(19)30)17-10-11-29(5)23(31)13-17;1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h8-14,17,20,31,34H,15-16H2,1-7H3;7-14,19,29,32H,15-16H2,1-6H3;7-14,19,30,32H,15-16H2,1-6H3;6-13,18,28,30H,14-15H2,1-5H3;5-12,17,28-29H,13-14H2,1-4H3,(H,25,30) |
| InChIKey | LPZJXFASJDVONB-UHFFFAOYSA-N |
| XLogP | 21.14 |
| TPSA | 433.49 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2210.84 |
| LogP ≤ 5 | 21.14 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 34 |
Frequently Asked Questions
What is the IUPAC name of 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 159422937) is 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1.CN(C)c1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.CN(c1ccc(-c2ccc(-c3ccn(C)c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)ccn1.Cn1ccc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cc1=O.
What is the InChIKey of 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is LPZJXFASJDVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O.2C26H33N5O2.C25H30N4O3.C24H28N4O3/c1-26(2)15-20(16-27(3,4)31-26)33(7)25-13-11-22(29-30-25)21-10-8-18(14-23(21)34)19-9-12-24(28-17-19)32(5)6;1-25(2)15-19(16-26(3,4)29-25)31(6)23-10-9-21(27-28-23)20-8-7-17(13-22(20)32)18-11-12-30(5)24(33)14-18;1-25(2)15-19(16-26(3,4)30-25)31(5)23-10-9-21(28-29-23)20-8-7-17(13-22(20)32)18-11-12-27-24(14-18)33-6;1-24(2)14-18(15-25(3,4)28-24)32-22-9-8-20(26-27-22)19-7-6-16(12-21(19)30)17-10-11-29(5)23(31)13-17;1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h8-14,17,20,31,34H,15-16H2,1-7H3;7-14,19,29,32H,15-16H2,1-6H3;7-14,19,30,32H,15-16H2,1-6H3;6-13,18,28,30H,14-15H2,1-5H3;5-12,17,28-29H,13-14H2,1-4H3,(H,25,30).
What are the key properties of 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 2210.84 g/mol, XLogP of 21.14, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)-3-pyridinyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1-methylpyridin-2-one;4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(2-methoxy-4-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 159422937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159422937 — identifiers, structure, computed properties (public domain)
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