8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C24H26FN5O3 — CID 153019147

IUPAC8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(CCc4ccc5c(c4F)Cn4nnnc4-5)CC3)C2=O)COC1=O
InChIInChI=1S/C24H26FN5O3/c1-14-19(13-33-22(14)31)29-11-10-24(23(29)32)8-6-15(7-9-24)2-3-16-4-5-17-18(20(16)25)12-30-21(17)26-27-28-30/h4-5,15H,2-3,6-13H2,1H3
InChIKeyVBOWEXIMGHZMLX-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.01
Rot. Bonds4

About 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 153019147) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID153019147
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(CCc4ccc5c(c4F)Cn4nnnc4-5)CC3)C2=O)COC1=O
InChIInChI=1S/C24H26FN5O3/c1-14-19(13-33-22(14)31)29-11-10-24(23(29)32)8-6-15(7-9-24)2-3-16-4-5-17-18(20(16)25)12-30-21(17)26-27-28-30/h4-5,15H,2-3,6-13H2,1H3
InChIKeyVBOWEXIMGHZMLX-UHFFFAOYSA-N
XLogP3.01
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-azaspiro[4.5]decan-1-one
CID 147293928
8-[(2R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-8-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 127043967
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 72725268
8-[2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 123737658
8-[4,5-dihydrotetrazolo[1,5-a]quinolin-7-ylmethyl(methyl)amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233048
8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen;[6-(tetrazol-1-yl)pyridazin-3-yl]methanamine
CID 144885549
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233086
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233012
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
CID 123758720
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
(5R)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
CID 72950411
8-[(2R)-2-methoxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 72948280

Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 153019147) is 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCC(CCc4ccc5c(c4F)Cn4nnnc4-5)CC3)C2=O)COC1=O.
What is the InChIKey of 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is VBOWEXIMGHZMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-14-19(13-33-22(14)31)29-11-10-24(23(29)32)8-6-15(7-9-24)2-3-16-4-5-17-18(20(16)25)12-30-21(17)26-27-28-30/h4-5,15H,2-3,6-13H2,1H3.
What are the key properties of 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 451.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-fluoro-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 153019147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).