3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one

C70H60F2N18O5Se — CID 158399124

About 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one

3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one (PubChem CID 158399124) has the molecular formula C70H60F2N18O5Se and a molecular weight of 1350.33 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one.

Molecular Properties

• Compound Name: 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one
• PubChem CID: 158399124
• Molecular Formula: C70H60F2N18O5Se
• Molecular Weight: 1350.33 g/mol
• Exact Mass: 1350.41
• IUPAC Name: 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one
• SMILES: Cc1ccc(CCC(=O)c2nn(C)c3cccnc3c2=O)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=[Se])c2ncccc21.[H]/N=c1/c(-c2nnc(Cc3ccc(F)cc3)o2)nn(C)c2cccnc12.[H]/N=c1/c(C(=O)CCc2ccc(C)cc2)nn(C)c2cccnc12
• InChI: InChI=1S/C18H18N4O.C18H17N3O2.C17H13FN6O.C17H12FN5OSe/c1-12-5-7-13(8-6-12)9-10-15(23)18-16(19)17-14(22(2)21-18)4-3-11-20-17;1-12-5-7-13(8-6-12)9-10-15(22)17-18(23)16-14(21(2)20-17)4-3-11-19-16;1-24-12-3-2-8-20-15(12)14(19)16(23-24)17-22-21-13(25-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(25)15(22-23)17-21-20-13(24-17)9-10-4-6-11(18)7-5-10/h3-8,11,19H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3;2-8,19H,9H2,1H3;2-8H,9H2,1H3/b19-16+;;19-14+
• InChIKey: GXWREGHDKUIAKG-RMGSCQRZSA-N
• XLogP: 9.70
• TPSA: 299.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.33
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one?

The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one (CID 158399124) is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one.

What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one?

The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one is Cc1ccc(CCC(=O)c2nn(C)c3cccnc3c2=O)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=[Se])c2ncccc21.[H]/N=c1/c(-c2nnc(Cc3ccc(F)cc3)o2)nn(C)c2cccnc12.[H]/N=c1/c(C(=O)CCc2ccc(C)cc2)nn(C)c2cccnc12.

What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one?

The InChIKey is GXWREGHDKUIAKG-RMGSCQRZSA-N. The full InChI is InChI=1S/C18H18N4O.C18H17N3O2.C17H13FN6O.C17H12FN5OSe/c1-12-5-7-13(8-6-12)9-10-15(23)18-16(19)17-14(22(2)21-18)4-3-11-20-17;1-12-5-7-13(8-6-12)9-10-15(22)17-18(23)16-14(21(2)20-17)4-3-11-19-16;1-24-12-3-2-8-20-15(12)14(19)16(23-24)17-22-21-13(25-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(25)15(22-23)17-21-20-13(24-17)9-10-4-6-11(18)7-5-10/h3-8,11,19H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3;2-8,19H,9H2,1H3;2-8H,9H2,1H3/b19-16+;;19-14+;.

What are the key properties of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one?

3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one has a molecular weight of 1350.33 g/mol, XLogP of 9.70, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;1-(4-imino-1-methylpyrido[3,2-c]pyridazin-3-yl)-3-(4-methylphenyl)propan-1-one;1-methyl-3-[3-(4-methylphenyl)propanoyl]pyrido[3,2-c]pyridazin-4-one is sourced from PubChem (CID 158399124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).