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

C25H26N6O4 — CID 58070373

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

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one (PubChem CID 58070373) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 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-(oxolan-3-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-(oxolan-3-yl)pyridin-2-one
• PubChem CID: 58070373
• Molecular Formula: C25H26N6O4
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCOC5)c4)cnc3C)o2)c(OC)c1
• InChI: InChI=1S/C25H26N6O4/c1-15-23(25-30-29-24(35-25)19-6-4-16(11-26-2)10-21(19)33-3)28-20(12-27-15)17-5-7-22(32)31(13-17)18-8-9-34-14-18/h4-7,10,12-13,18,26H,8-9,11,14H2,1-3H3
• InChIKey: KBKGZZHSPILWNB-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 117.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-(oxolan-3-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-(oxolan-3-yl)pyridin-2-one (CID 58070373) is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(oxolan-3-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-(oxolan-3-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-(oxolan-3-yl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCOC5)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-(oxolan-3-yl)pyridin-2-one?

The InChIKey is KBKGZZHSPILWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15-23(25-30-29-24(35-25)19-6-4-16(11-26-2)10-21(19)33-3)28-20(12-27-15)17-5-7-22(32)31(13-17)18-8-9-34-14-18/h4-7,10,12-13,18,26H,8-9,11,14H2,1-3H3.

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-(oxolan-3-yl)pyridin-2-one?

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one has a molecular weight of 474.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-(oxolan-3-yl)pyridin-2-one is sourced from PubChem (CID 58070373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).