5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide

C23H19F6N5O4S — CID 167199257

About 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide

5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167199257) has the molecular formula C23H19F6N5O4S and a molecular weight of 575.49 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 167199257
• Molecular Formula: C23H19F6N5O4S
• Molecular Weight: 575.49 g/mol
• Exact Mass: 575.11
• IUPAC Name: 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: Cc1nc(C2(C(F)(F)F)CC2)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
• InChI: InChI=1S/C23H19F6N5O4S/c1-11-16(18(35)32-13-5-4-6-14(9-13)39(3,36)37)20(34-33-17(11)22(24,25)26)38-19-12(2)31-15(10-30-19)21(7-8-21)23(27,28)29/h4-6,9-10H,7-8H2,1-3H3,(H,32,35)
• InChIKey: LTRMWEHNOBIBIS-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 124.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.49
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167199257) is 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide.

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

The canonical SMILES for 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1nc(C2(C(F)(F)F)CC2)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.

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

The InChIKey is LTRMWEHNOBIBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5O4S/c1-11-16(18(35)32-13-5-4-6-14(9-13)39(3,36)37)20(34-33-17(11)22(24,25)26)38-19-12(2)31-15(10-30-19)21(7-8-21)23(27,28)29/h4-6,9-10H,7-8H2,1-3H3,(H,32,35).

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

5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 575.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167199257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).