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

C24H23F3N4O5S — CID 167197586

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

3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167197586) has the molecular formula C24H23F3N4O5S and a molecular weight of 536.53 g/mol. Its IUPAC name is 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 167197586
• Molecular Formula: C24H23F3N4O5S
• Molecular Weight: 536.53 g/mol
• Exact Mass: 536.13
• IUPAC Name: 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: COc1nc(C2CCC2)ccc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
• InChI: InChI=1S/C24H23F3N4O5S/c1-13-19(21(32)28-15-8-5-9-16(12-15)37(3,33)34)23(31-30-20(13)24(25,26)27)36-18-11-10-17(14-6-4-7-14)29-22(18)35-2/h5,8-12,14H,4,6-7H2,1-3H3,(H,28,32)
• InChIKey: SJWOLDDYASAIPK-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.53
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-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?

The IUPAC name of 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167197586) is 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

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

The canonical SMILES for 3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1nc(C2CCC2)ccc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.

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

The InChIKey is SJWOLDDYASAIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O5S/c1-13-19(21(32)28-15-8-5-9-16(12-15)37(3,33)34)23(31-30-20(13)24(25,26)27)36-18-11-10-17(14-6-4-7-14)29-22(18)35-2/h5,8-12,14H,4,6-7H2,1-3H3,(H,28,32).

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

3-[(6-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 536.53 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-cyclobutyl-2-methoxy-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167197586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).