azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone

C20H15F3N8O2S — CID 153338008

About azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone

azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone (PubChem CID 153338008) has the molecular formula C20H15F3N8O2S and a molecular weight of 488.46 g/mol. Its IUPAC name is azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone
• PubChem CID: 153338008
• Molecular Formula: C20H15F3N8O2S
• Molecular Weight: 488.46 g/mol
• Exact Mass: 488.10
• IUPAC Name: azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone
• SMILES: O=C(c1ccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)nn1)N1CCC1
• InChI: InChI=1S/C20H15F3N8O2S/c21-20(22,23)19-26-17(29-33-19)14-4-2-12(34-14)11-31(16-10-24-6-7-25-16)15-5-3-13(27-28-15)18(32)30-8-1-9-30/h2-7,10H,1,8-9,11H2
• InChIKey: YJAHNIPTQBNKHF-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 114.03 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.46
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone?

The IUPAC name of azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone (CID 153338008) is azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone.

What is the SMILES notation for azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone?

The canonical SMILES for azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone is O=C(c1ccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)nn1)N1CCC1.

What is the InChIKey of azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone?

The InChIKey is YJAHNIPTQBNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N8O2S/c21-20(22,23)19-26-17(29-33-19)14-4-2-12(34-14)11-31(16-10-24-6-7-25-16)15-5-3-13(27-28-15)18(32)30-8-1-9-30/h2-7,10H,1,8-9,11H2.

What are the key properties of azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone?

azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone has a molecular weight of 488.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[6-[pyrazin-2-yl-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]amino]pyridazin-3-yl]methanone is sourced from PubChem (CID 153338008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).