5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

C24H23F3N6O3 — CID 58070346

About 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (PubChem CID 58070346) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
• PubChem CID: 58070346
• Molecular Formula: C24H23F3N6O3
• Molecular Weight: 500.48 g/mol
• Exact Mass: 500.18
• IUPAC Name: 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1
• InChI: InChI=1S/C24H23F3N6O3/c1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27/h5-9,11-12,14,28H,10H2,1-4H3
• InChIKey: UIQJGYSGOUYYJF-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.48
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?

The IUPAC name of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (CID 58070346) is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.

What is the SMILES notation for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?

The canonical SMILES for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.

What is the InChIKey of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?

The InChIKey is UIQJGYSGOUYYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27/h5-9,11-12,14,28H,10H2,1-4H3.

What are the key properties of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one has a molecular weight of 500.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is sourced from PubChem (CID 58070346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).