2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine

C104H126F2N32O6 — CID 157185954

About 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine

2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine (PubChem CID 157185954) has the molecular formula C104H126F2N32O6 and a molecular weight of 1958.37 g/mol. Its IUPAC name is 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine
• PubChem CID: 157185954
• Molecular Formula: C104H126F2N32O6
• Molecular Weight: 1958.37 g/mol
• Exact Mass: 1957.05
• IUPAC Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine
• SMILES: CC1(C)CC(Oc2ccc(-c3c(F)cc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3nc(-c4cn[nH]c4)ncc3N)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNC3)C2)nn1
• InChI: InChI=1S/C22H25F2N5O.C22H29N7O.C21H26N6O2.C20H26N8O.C19H20N6O/c1-21(2)9-15(10-22(3,4)29-21)30-19-6-5-18(27-28-19)20-16(23)7-13(8-17(20)24)14-11-25-26-12-14;1-21(2)10-15(11-22(3,4)28-21)29(5)19-9-8-18(26-27-19)16-6-7-17(25-20(16)30)14-12-23-24-13-14;1-20(2)9-14(10-21(3,4)27-20)29-18-8-7-17(25-26-18)15-5-6-16(24-19(15)28)13-11-22-23-12-13;1-19(2)7-13(8-20(3,4)28-19)29-16-6-5-15(26-27-16)17-14(21)11-22-18(25-17)12-9-23-24-10-12;26-17-7-13(14-8-21-22-9-14)1-2-15(17)16-3-4-18(24-23-16)25-11-19(12-25)5-6-20-10-19/h5-8,11-12,15,29H,9-10H2,1-4H3,(H,25,26);6-9,12-13,15,28H,10-11H2,1-5H3,(H,23,24)(H,25,30);5-8,11-12,14,27H,9-10H2,1-4H3,(H,22,23)(H,24,28);5-6,9-11,13,28H,7-8,21H2,1-4H3,(H,23,24);1-4,7-9,20,26H,5-6,10-12H2,(H,21,22)
• InChIKey: APCUQHHFFHWPSS-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 504.37 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.37
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine?

The IUPAC name of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine (CID 157185954) is 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine.

What is the SMILES notation for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine?

The canonical SMILES for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine is CC1(C)CC(Oc2ccc(-c3c(F)cc(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3nc(-c4cn[nH]c4)ncc3N)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNC3)C2)nn1.

What is the InChIKey of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine?

The InChIKey is APCUQHHFFHWPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O.C22H29N7O.C21H26N6O2.C20H26N8O.C19H20N6O/c1-21(2)9-15(10-22(3,4)29-21)30-19-6-5-18(27-28-19)20-16(23)7-13(8-17(20)24)14-11-25-26-12-14;1-21(2)10-15(11-22(3,4)28-21)29(5)19-9-8-18(26-27-19)16-6-7-17(25-20(16)30)14-12-23-24-13-14;1-20(2)9-14(10-21(3,4)27-20)29-18-8-7-17(25-26-18)15-5-6-16(24-19(15)28)13-11-22-23-12-13;1-19(2)7-13(8-20(3,4)28-19)29-16-6-5-15(26-27-16)17-14(21)11-22-18(25-17)12-9-23-24-10-12;26-17-7-13(14-8-21-22-9-14)1-2-15(17)16-3-4-18(24-23-16)25-11-19(12-25)5-6-20-10-19/h5-8,11-12,15,29H,9-10H2,1-4H3,(H,25,26);6-9,12-13,15,28H,10-11H2,1-5H3,(H,23,24)(H,25,30);5-8,11-12,14,27H,9-10H2,1-4H3,(H,22,23)(H,24,28);5-6,9-11,13,28H,7-8,21H2,1-4H3,(H,23,24);1-4,7-9,20,26H,5-6,10-12H2,(H,21,22).

What are the key properties of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine?

2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine has a molecular weight of 1958.37 g/mol, XLogP of 15.01, 19 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one;2-(1H-pyrazol-4-yl)-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyrimidin-5-amine is sourced from PubChem (CID 157185954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).