3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

C20H23FN8O3 — CID 144715471

About 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one

3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 144715471) has the molecular formula C20H23FN8O3 and a molecular weight of 442.46 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 144715471
• Molecular Formula: C20H23FN8O3
• Molecular Weight: 442.46 g/mol
• Exact Mass: 442.19
• IUPAC Name: 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
• SMILES: O=C1C=C(N2C(=O)C3(CCN(CCc4cnc(-n5cnnn5)cn4)CC3)CC2CF)CO1
• InChI: InChI=1S/C20H23FN8O3/c21-9-16-8-20(19(31)29(16)15-7-18(30)32-12-15)2-5-27(6-3-20)4-1-14-10-23-17(11-22-14)28-13-24-25-26-28/h7,10-11,13,16H,1-6,8-9,12H2
• InChIKey: AMCHSUXJGOMECE-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 119.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.46
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 144715471) is 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1C=C(N2C(=O)C3(CCN(CCc4cnc(-n5cnnn5)cn4)CC3)CC2CF)CO1.

What is the InChIKey of 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is AMCHSUXJGOMECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O3/c21-9-16-8-20(19(31)29(16)15-7-18(30)32-12-15)2-5-27(6-3-20)4-1-14-10-23-17(11-22-14)28-13-24-25-26-28/h7,10-11,13,16H,1-6,8-9,12H2.

What are the key properties of 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one?

3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 442.46 g/mol, XLogP of 0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 144715471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).