3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C20H15F3N6O5S — CID 167198443

About 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167198443) has the molecular formula C20H15F3N6O5S and a molecular weight of 508.44 g/mol. Its IUPAC name is 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 167198443
• Molecular Formula: C20H15F3N6O5S
• Molecular Weight: 508.44 g/mol
• Exact Mass: 508.08
• IUPAC Name: 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: COc1nc(C#N)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
• InChI: InChI=1S/C20H15F3N6O5S/c1-10-14(16(30)26-11-5-4-6-13(7-11)35(3,31)32)17(29-28-15(10)20(21,22)23)34-18-19(33-2)27-12(8-24)9-25-18/h4-7,9H,1-3H3,(H,26,30)
• InChIKey: TWHLVRWDYQKTLA-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 157.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.44
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The IUPAC name of 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167198443) is 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

What is the SMILES notation for 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The canonical SMILES for 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1nc(C#N)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.

What is the InChIKey of 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The InChIKey is TWHLVRWDYQKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O5S/c1-10-14(16(30)26-11-5-4-6-13(7-11)35(3,31)32)17(29-28-15(10)20(21,22)23)34-18-19(33-2)27-12(8-24)9-25-18/h4-7,9H,1-3H3,(H,26,30).

What are the key properties of 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 508.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167198443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).