5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one

C25H26F2N6O4 — CID 175984145

About 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one

5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one (PubChem CID 175984145) has the molecular formula C25H26F2N6O4 and a molecular weight of 512.52 g/mol. Its IUPAC name is 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
• PubChem CID: 175984145
• Molecular Formula: C25H26F2N6O4
• Molecular Weight: 512.52 g/mol
• Exact Mass: 512.20
• IUPAC Name: 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
• SMILES: O=C(c1c[nH]c(=O)cn1)N1CC(c2nnc(C(F)(F)c3ccc(C4CCOCC4)cc3)o2)C2(CNC2)C1
• InChI: InChI=1S/C25H26F2N6O4/c26-25(27,17-3-1-15(2-4-17)16-5-7-36-8-6-16)23-32-31-21(37-23)18-11-33(14-24(18)12-28-13-24)22(35)19-9-30-20(34)10-29-19/h1-4,9-10,16,18,28H,5-8,11-14H2,(H,30,34)
• InChIKey: WGYGRLPOFWWKEW-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 126.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.52
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?

The IUPAC name of 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one (CID 175984145) is 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one.

What is the SMILES notation for 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?

The canonical SMILES for 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CC(c2nnc(C(F)(F)c3ccc(C4CCOCC4)cc3)o2)C2(CNC2)C1.

What is the InChIKey of 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?

The InChIKey is WGYGRLPOFWWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O4/c26-25(27,17-3-1-15(2-4-17)16-5-7-36-8-6-16)23-32-31-21(37-23)18-11-33(14-24(18)12-28-13-24)22(35)19-9-30-20(34)10-29-19/h1-4,9-10,16,18,28H,5-8,11-14H2,(H,30,34).

What are the key properties of 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one?

5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one has a molecular weight of 512.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[5-[difluoro-[4-(oxan-4-yl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 175984145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).