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

IUPAC3-(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
SMILESO=C1C=C(N2C(=O)C3(CCN(CCc4cnc(-n5cnnn5)cn4)CC3)CC2CF)CO1
InChIInChI=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
InChIKeyAMCHSUXJGOMECE-UHFFFAOYSA-N
MW442.46 g/mol
LogP0.09
Rot. Bonds6

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 Name3-(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 CID144715471
Molecular FormulaC20H23FN8O3
Molecular Weight442.46 g/mol
Exact Mass442.19
IUPAC Name3-(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
SMILESO=C1C=C(N2C(=O)C3(CCN(CCc4cnc(-n5cnnn5)cn4)CC3)CC2CF)CO1
InChIInChI=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
InChIKeyAMCHSUXJGOMECE-UHFFFAOYSA-N
XLogP0.09
TPSA119.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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).