2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

C₁₂₉H₁₅₆FN₃₁O₇S — CID 158754111

About 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (PubChem CID 158754111) has the molecular formula C₁₂₉H₁₅₆FN₃₁O₇S and a molecular weight of 2303.94 g/mol. Its IUPAC name is 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.

Molecular Properties

• Compound Name: 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
• PubChem CID: 158754111
• Molecular Formula: C₁₂₉H₁₅₆FN₃₁O₇S
• Molecular Weight: 2303.94 g/mol
• Exact Mass: 2302.25
• IUPAC Name: 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
• SMILES: CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CC1CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)N1.COc1cc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cn1cc(-c2csc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2C[C@H]3CC[C@@H](C2)N3)nn1
• InChI: InChI=1S/C24H32N6O.C22H26FN5O.C22H27N5O.C21H27N5OS.C20H23N5O2.C20H21N5O/c1-23(2)12-18(13-24(3,4)29-23)30(5)22-10-9-20(27-28-22)19-8-7-16(11-21(19)31-6)17-14-25-26-15-17;1-21(2)10-16(11-22(3,4)28-21)29-20-8-7-19(26-27-20)17-6-5-14(9-18(17)23)15-12-24-25-13-15;1-21(2)11-18(12-22(3,4)27-21)28-20-10-9-19(25-26-20)16-7-5-15(6-8-16)17-13-23-24-14-17;1-20(2)9-16(10-21(3,4)25-20)27-19-7-6-17(23-24-19)18-8-14(13-28-18)15-11-22-26(5)12-15;1-12-7-16(8-13(2)23-12)27-20-6-5-18(24-25-20)17-4-3-14(9-19(17)26)15-10-21-22-11-15;26-20-9-12(14-10-21-22-11-14)1-4-17(20)19-6-5-18(24-25-19)13-7-15-2-3-16(8-13)23-15/h7-11,14-15,18,29H,12-13H2,1-6H3,(H,25,26);5-9,12-13,16,28H,10-11H2,1-4H3,(H,24,25);5-10,13-14,18,27H,11-12H2,1-4H3,(H,23,24);6-8,11-13,16,25H,9-10H2,1-5H3;3-6,9-13,16,23,26H,7-8H2,1-2H3,(H,21,22);1,4-6,9-11,13,15-16,23,26H,2-3,7-8H2,(H,21,22)/t;;;;;13?,15-,16+
• InChIKey: INVQYZSXOOZEJW-HTWJCYBKSA-N
• XLogP: 23.55
• TPSA: 477.93 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.94
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?

The IUPAC name of 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (CID 158754111) is 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.

What is the SMILES notation for 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?

The canonical SMILES for 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CC1CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)N1.COc1cc(-c2cn[nH]c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.Cn1cc(-c2csc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2C[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]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?

The InChIKey is INVQYZSXOOZEJW-HTWJCYBKSA-N. The full InChI is InChI=1S/C24H32N6O.C22H26FN5O.C22H27N5O.C21H27N5OS.C20H23N5O2.C20H21N5O/c1-23(2)12-18(13-24(3,4)29-23)30(5)22-10-9-20(27-28-22)19-8-7-16(11-21(19)31-6)17-14-25-26-15-17;1-21(2)10-16(11-22(3,4)28-21)29-20-8-7-19(26-27-20)17-6-5-14(9-18(17)23)15-12-24-25-13-15;1-21(2)11-18(12-22(3,4)27-21)28-20-10-9-19(25-26-20)16-7-5-15(6-8-16)17-13-23-24-14-17;1-20(2)9-16(10-21(3,4)25-20)27-19-7-6-17(23-24-19)18-8-14(13-28-18)15-11-22-26(5)12-15;1-12-7-16(8-13(2)23-12)27-20-6-5-18(24-25-20)17-4-3-14(9-19(17)26)15-10-21-22-11-15;26-20-9-12(14-10-21-22-11-14)1-4-17(20)19-6-5-18(24-25-19)13-7-15-2-3-16(8-13)23-15/h7-11,14-15,18,29H,12-13H2,1-6H3,(H,25,26);5-9,12-13,16,28H,10-11H2,1-4H3,(H,24,25);5-10,13-14,18,27H,11-12H2,1-4H3,(H,23,24);6-8,11-13,16,25H,9-10H2,1-5H3;3-6,9-13,16,23,26H,7-8H2,1-2H3,(H,21,22);1,4-6,9-11,13,15-16,23,26H,2-3,7-8H2,(H,21,22)/t;;;;;13?,15-,16+.

What are the key properties of 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?

2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine has a molecular weight of 2303.94 g/mol, XLogP of 23.55, 24 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(2,6-dimethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;6-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 158754111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158754111 — identifiers, structure, computed properties (public domain)

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