2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol

C132H158N32O8 — CID 157110576

About 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol

2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol (PubChem CID 157110576) has the molecular formula C132H158N32O8 and a molecular weight of 2320.93 g/mol. Its IUPAC name is 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol
• PubChem CID: 157110576
• Molecular Formula: C132H158N32O8
• Molecular Weight: 2320.93 g/mol
• Exact Mass: 2319.29
• IUPAC Name: 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol
• SMILES: CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.Cc1[nH]ncc1-c1ccc(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.Cn1cc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2C[C@H]3CC[C@@H](C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)nn1
• InChI: InChI=1S/C24H32N6O.C23H29N5O2.C23H29N5O.C21H24N6O.C21H23N5O.C20H21N5O2/c1-15-19(14-25-26-15)16-7-8-18(21(31)11-16)20-9-10-22(28-27-20)30(6)17-12-23(2,3)29-24(4,5)13-17;1-22(2)11-17(12-23(3,4)27-22)30-21-9-8-19(25-26-21)18-7-6-15(10-20(18)29)16-13-24-28(5)14-16;1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17;1-27(17-9-15-3-4-16(10-17)24-15)21-7-6-19(25-26-21)18-5-2-13(8-20(18)28)14-11-22-23-12-14;27-21-10-14(15-11-22-23-12-15)1-5-19(21)20-6-4-18(25-26-20)9-13-7-16-2-3-17(8-13)24-16;26-19-7-12(13-10-21-22-11-13)1-4-17(19)18-5-6-20(25-24-18)27-16-8-14-2-3-15(9-16)23-14/h7-11,14,17,29,31H,12-13H2,1-6H3,(H,25,26);6-10,13-14,17,27,29H,11-12H2,1-5H3;5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25);2,5-8,11-12,15-17,24,28H,3-4,9-10H2,1H3,(H,22,23);1,4-6,10-13,16-17,24,27H,2-3,7-9H2,(H,22,23);1,4-7,10-11,14-16,23,26H,2-3,8-9H2,(H,21,22)/t;;;15-,16+,17?;13?,16-,17+;14-,15+,16?
• InChIKey: AGUNYCNHLJHWHN-XRKKRYOESA-N
• XLogP: 21.74
• TPSA: 534.40 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.93
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol?

The IUPAC name of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol (CID 157110576) is 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol.

What is the SMILES notation for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol?

The canonical SMILES for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol is CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.Cc1[nH]ncc1-c1ccc(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.Cn1cc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2C[C@H]3CC[C@@H](C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)nn1.

What is the InChIKey of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol?

The InChIKey is AGUNYCNHLJHWHN-XRKKRYOESA-N. The full InChI is InChI=1S/C24H32N6O.C23H29N5O2.C23H29N5O.C21H24N6O.C21H23N5O.C20H21N5O2/c1-15-19(14-25-26-15)16-7-8-18(21(31)11-16)20-9-10-22(28-27-20)30(6)17-12-23(2,3)29-24(4,5)13-17;1-22(2)11-17(12-23(3,4)27-22)30-21-9-8-19(25-26-21)18-7-6-15(10-20(18)29)16-13-24-28(5)14-16;1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17;1-27(17-9-15-3-4-16(10-17)24-15)21-7-6-19(25-26-21)18-5-2-13(8-20(18)28)14-11-22-23-12-14;27-21-10-14(15-11-22-23-12-15)1-5-19(21)20-6-4-18(25-26-20)9-13-7-16-2-3-17(8-13)24-16;26-19-7-12(13-10-21-22-11-13)1-4-17(19)18-5-6-20(25-24-18)27-16-8-14-2-3-15(9-16)23-14/h7-11,14,17,29,31H,12-13H2,1-6H3,(H,25,26);6-10,13-14,17,27,29H,11-12H2,1-5H3;5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25);2,5-8,11-12,15-17,24,28H,3-4,9-10H2,1H3,(H,22,23);1,4-6,10-13,16-17,24,27H,2-3,7-9H2,(H,22,23);1,4-7,10-11,14-16,23,26H,2-3,8-9H2,(H,21,22)/t;;;15-,16+,17?;13?,16-,17+;14-,15+,16?.

What are the key properties of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol?

2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol has a molecular weight of 2320.93 g/mol, XLogP of 21.74, 24 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-methyl-1H-pyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 157110576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).