3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C24H22F4N4O5S — CID 167198985

About 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167198985) has the molecular formula C24H22F4N4O5S and a molecular weight of 554.52 g/mol. Its IUPAC name is 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 167198985
• Molecular Formula: C24H22F4N4O5S
• Molecular Weight: 554.52 g/mol
• Exact Mass: 554.12
• IUPAC Name: 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: COc1nc(C2(F)CC2)cc(C)c1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
• InChI: InChI=1S/C24H22F4N4O5S/c1-12-10-16(23(25)8-9-23)30-22(36-3)18(12)37-21-17(13(2)19(31-32-21)24(26,27)28)20(33)29-14-6-5-7-15(11-14)38(4,34)35/h5-7,10-11H,8-9H2,1-4H3,(H,29,33)
• InChIKey: DROGYSBUBOIONV-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.52
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The IUPAC name of 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167198985) is 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

What is the SMILES notation for 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The canonical SMILES for 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1nc(C2(F)CC2)cc(C)c1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.

What is the InChIKey of 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The InChIKey is DROGYSBUBOIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O5S/c1-12-10-16(23(25)8-9-23)30-22(36-3)18(12)37-21-17(13(2)19(31-32-21)24(26,27)28)20(33)29-14-6-5-7-15(11-14)38(4,34)35/h5-7,10-11H,8-9H2,1-4H3,(H,29,33).

What are the key properties of 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 554.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167198985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).