6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C70H51F11N20O9S2 — CID 162068876

About 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 162068876) has the molecular formula C70H51F11N20O9S2 and a molecular weight of 1589.42 g/mol. Its IUPAC name is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
• PubChem CID: 162068876
• Molecular Formula: C70H51F11N20O9S2
• Molecular Weight: 1589.42 g/mol
• Exact Mass: 1588.34
• IUPAC Name: 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
• SMILES: Cc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)no1.Cc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1nnc(-c2ccc(F)cc2)s1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C19H12F3N5O2S.C19H13F2N5O2S.C17H14F3N5O2.C15H12F3N5O3/c20-13-4-1-11(2-5-13)18-25-24-16(30-18)10-27-17(28)8-6-14(26-27)12-3-7-15(23-9-12)29-19(21)22;20-19(21)28-15-8-6-13(10-22-15)14-7-9-17(27)26(25-14)11-16-23-24-18(29-16)12-4-2-1-3-5-12;1-11-2-3-12(6-21-11)9-25-15(26)5-4-14(24-25)13-7-22-16(23-8-13)27-10-17(18,19)20;1-9-4-11(22-26-9)7-23-13(24)3-2-12(21-23)10-5-19-14(20-6-10)25-8-15(16,17)18/h1-9,19H,10H2;1-10,19H,11H2;2-8H,9-10H2,1H3;2-6H,7-8H2,1H3
• InChIKey: ZAUSRWRWNNGNSE-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 344.30 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.42
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 162068876) is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

What is the SMILES notation for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The canonical SMILES for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is Cc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)no1.Cc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1nnc(-c2ccc(F)cc2)s1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1nnc(-c2ccccc2)s1.

What is the InChIKey of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The InChIKey is ZAUSRWRWNNGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2S.C19H13F2N5O2S.C17H14F3N5O2.C15H12F3N5O3/c20-13-4-1-11(2-5-13)18-25-24-16(30-18)10-27-17(28)8-6-14(26-27)12-3-7-15(23-9-12)29-19(21)22;20-19(21)28-15-8-6-13(10-22-15)14-7-9-17(27)26(25-14)11-16-23-24-18(29-16)12-4-2-1-3-5-12;1-11-2-3-12(6-21-11)9-25-15(26)5-4-14(24-25)13-7-22-16(23-8-13)27-10-17(18,19)20;1-9-4-11(22-26-9)7-23-13(24)3-2-12(21-23)10-5-19-14(20-6-10)25-8-15(16,17)18/h1-9,19H,10H2;1-10,19H,11H2;2-8H,9-10H2,1H3;2-6H,7-8H2,1H3.

What are the key properties of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 1589.42 g/mol, XLogP of 11.47, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-one;2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 162068876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).