6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one

C23H17F5N4O3 — CID 169250512

About 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one

6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one (PubChem CID 169250512) has the molecular formula C23H17F5N4O3 and a molecular weight of 492.40 g/mol. Its IUPAC name is 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
• PubChem CID: 169250512
• Molecular Formula: C23H17F5N4O3
• Molecular Weight: 492.40 g/mol
• Exact Mass: 492.12
• IUPAC Name: 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
• SMILES: Cc1noc(-c2c(C)[nH]c(-c3c(Oc4ccc(F)c(F)c4C)ncc(C(F)(F)F)c3C)cc2=O)n1
• InChI: InChI=1S/C23H17F5N4O3/c1-9-13(23(26,27)28)8-29-21(34-17-6-5-14(24)20(25)10(17)2)18(9)15-7-16(33)19(11(3)30-15)22-31-12(4)32-35-22/h5-8H,1-4H3,(H,30,33)
• InChIKey: NMCHYBOOSNMWRW-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.40
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?

The IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one (CID 169250512) is 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one.

What is the SMILES notation for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?

The canonical SMILES for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one is Cc1noc(-c2c(C)[nH]c(-c3c(Oc4ccc(F)c(F)c4C)ncc(C(F)(F)F)c3C)cc2=O)n1.

What is the InChIKey of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?

The InChIKey is NMCHYBOOSNMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N4O3/c1-9-13(23(26,27)28)8-29-21(34-17-6-5-14(24)20(25)10(17)2)18(9)15-7-16(33)19(11(3)30-15)22-31-12(4)32-35-22/h5-8H,1-4H3,(H,30,33).

What are the key properties of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?

6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one has a molecular weight of 492.40 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one is sourced from PubChem (CID 169250512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).