5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

C23H21F3N6O2 — CID 58070268

About 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 58070268) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
• PubChem CID: 58070268
• Molecular Formula: C23H21F3N6O2
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.17
• IUPAC Name: 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(C)c1
• InChI: InChI=1S/C23H21F3N6O2/c1-13-8-15(9-27-3)4-6-17(13)21-30-31-22(34-21)20-14(2)28-10-18(29-20)16-5-7-19(33)32(11-16)12-23(24,25)26/h4-8,10-11,27H,9,12H2,1-3H3
• InChIKey: AFIUFYPQECEDKC-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 58070268) is 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.

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

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

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

The InChIKey is AFIUFYPQECEDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-13-8-15(9-27-3)4-6-17(13)21-30-31-22(34-21)20-14(2)28-10-18(29-20)16-5-7-19(33)32(11-16)12-23(24,25)26/h4-8,10-11,27H,9,12H2,1-3H3.

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

5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 470.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 58070268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).