5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one

C₂₃H₂₅N₇O₄ — CID 54672752

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

5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one (PubChem CID 54672752) has the molecular formula C₂₃H₂₅N₇O₄ and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
• PubChem CID: 54672752
• Molecular Formula: C₂₃H₂₅N₇O₄
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.20
• IUPAC Name: 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CO)c4)cnc3N)o2)c(OC)c1
• InChI: InChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(H2,24,26)
• InChIKey: PJBVGLJGQQOLBX-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 154.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one (CID 54672752) is 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one.

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

The canonical SMILES for 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CO)c4)cnc3N)o2)c(OC)c1.

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

The InChIKey is PJBVGLJGQQOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(H2,24,26).

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

5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one has a molecular weight of 463.50 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one is sourced from PubChem (CID 54672752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54672752 — identifiers, structure, computed properties (public domain)

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