2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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

C83H103N25O5S — CID 157160646

About 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 (PubChem CID 157160646) has the molecular formula C83H103N25O5S and a molecular weight of 1562.97 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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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.

Molecular Properties

• Compound Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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
• PubChem CID: 157160646
• Molecular Formula: C83H103N25O5S
• Molecular Weight: 1562.97 g/mol
• Exact Mass: 1561.83
• IUPAC Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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
• SMILES: CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2cccc(-c3cn[nH]c3)c2)s1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNC3)C2)nn1
• InChI: InChI=1S/C22H29N7O.C21H26N6O2.C21H28N6OS.C19H20N6O/c1-21(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;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-7-14(9-17)15-12-22-23-13-15;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/h6-9,12-13,15,28H,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);6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,23);1-4,7-9,20,26H,5-6,10-12H2,(H,21,22)
• InChIKey: AMIGZMMFNAWXRQ-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 380.09 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1562.97
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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?

The IUPAC name of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 (CID 157160646) is 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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.

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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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?

The canonical SMILES for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2cccc(-c3cn[nH]c3)c2)s1)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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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?

The InChIKey is AMIGZMMFNAWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O.C21H26N6O2.C21H28N6OS.C19H20N6O/c1-21(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;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-7-14(9-17)15-12-22-23-13-15;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/h6-9,12-13,15,28H,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);6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,23);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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 has a molecular weight of 1562.97 g/mol, XLogP of 12.38, 16 rotatable bonds, 11 hydrogen bond donors, and 25 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;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;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 is sourced from PubChem (CID 157160646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).