5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C23H22F3N5O6 — CID 137106176

About 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 137106176) has the molecular formula C23H22F3N5O6 and a molecular weight of 521.45 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 137106176
• Molecular Formula: C23H22F3N5O6
• Molecular Weight: 521.45 g/mol
• Exact Mass: 521.15
• IUPAC Name: 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
• SMILES: CCOCc1[nH]c(=O)c(-c2nnc(Cn3ccc(C(F)(F)F)n3)o2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C23H22F3N5O6/c1-4-36-11-12-17(18-13(34-2)6-5-7-14(18)35-3)20(32)19(21(33)27-12)22-29-28-16(37-22)10-31-9-8-15(30-31)23(24,25)26/h5-9H,4,10-11H2,1-3H3,(H2,27,32,33)
• InChIKey: HFYDDWJXHHPFIY-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 137.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.45
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 137106176) is 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CCOCc1[nH]c(=O)c(-c2nnc(Cn3ccc(C(F)(F)F)n3)o2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The InChIKey is HFYDDWJXHHPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O6/c1-4-36-11-12-17(18-13(34-2)6-5-7-14(18)35-3)20(32)19(21(33)27-12)22-29-28-16(37-22)10-31-9-8-15(30-31)23(24,25)26/h5-9H,4,10-11H2,1-3H3,(H2,27,32,33).

What are the key properties of 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 521.45 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-3-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137106176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).