2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C107H121F6N27O3 — CID 157469947

About 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 157469947) has the molecular formula C107H121F6N27O3 and a molecular weight of 1947.32 g/mol. Its IUPAC name is 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
• PubChem CID: 157469947
• Molecular Formula: C107H121F6N27O3
• Molecular Weight: 1947.32 g/mol
• Exact Mass: 1946.00
• IUPAC Name: 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
• SMILES: CC1(C)CC(Oc2ccc(-c3cc(F)c(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(F)c2F)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2=CC3CCC(C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2CCNCC2)nn1
• InChI: InChI=1S/2C23H28F2N6.C22H25F2N5O.C20H19N5O.C19H21N5O/c1-22(2)10-15(11-23(3,4)30-22)31(5)21-7-6-20(28-29-21)17-9-18(24)16(8-19(17)25)14-12-26-27-13-14;1-22(2)10-15(11-23(3,4)30-22)31(5)19-9-8-18(28-29-19)17-7-6-16(20(24)21(17)25)14-12-26-27-13-14;1-21(2)9-14(10-22(3,4)29-21)30-20-6-5-19(27-28-20)16-8-17(23)15(7-18(16)24)13-11-25-26-12-13;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;25-19-10-14(15-11-21-22-12-15)1-3-17(19)18-4-2-16(23-24-18)9-13-5-7-20-8-6-13/h2*6-9,12-13,15,30H,10-11H2,1-5H3,(H,26,27);5-8,11-12,14,29H,9-10H2,1-4H3,(H,25,26);1,4-7,9-11,15-16,23,26H,2-3,8H2,(H,21,22);1-4,10-13,20,25H,5-9H2,(H,21,22)
• InChIKey: BUXLAXZUJHKCOH-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 388.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.32
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?

The IUPAC name of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 157469947) is 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

What is the SMILES notation for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?

The canonical SMILES for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CC1(C)CC(Oc2ccc(-c3cc(F)c(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(F)c2F)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2=CC3CCC(C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2CCNCC2)nn1.

What is the InChIKey of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?

The InChIKey is BUXLAXZUJHKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28F2N6.C22H25F2N5O.C20H19N5O.C19H21N5O/c1-22(2)10-15(11-23(3,4)30-22)31(5)21-7-6-20(28-29-21)17-9-18(24)16(8-19(17)25)14-12-26-27-13-14;1-22(2)10-15(11-23(3,4)30-22)31(5)19-9-8-18(28-29-19)17-7-6-16(20(24)21(17)25)14-12-26-27-13-14;1-21(2)9-14(10-22(3,4)29-21)30-20-6-5-19(27-28-20)16-8-17(23)15(7-18(16)24)13-11-25-26-12-13;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;25-19-10-14(15-11-21-22-12-15)1-3-17(19)18-4-2-16(23-24-18)9-13-5-7-20-8-6-13/h2*6-9,12-13,15,30H,10-11H2,1-5H3,(H,26,27);5-8,11-12,14,29H,9-10H2,1-4H3,(H,25,26);1,4-7,9-11,15-16,23,26H,2-3,8H2,(H,21,22);1-4,10-13,20,25H,5-9H2,(H,21,22).

What are the key properties of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?

2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 1947.32 g/mol, XLogP of 19.54, 19 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 157469947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).