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

C23H26N6O4 — CID 127043967

IUPAC8-[(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
SMILESCC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O
InChIInChI=1S/C23H26N6O4/c1-14-18(13-33-21(14)31)28-9-6-23(22(28)32)4-7-27(8-5-23)12-19(30)15-2-3-16-11-29-20(17(16)10-15)24-25-26-29/h2-3,10,19,30H,4-9,11-13H2,1H3/t19-/m0/s1
InChIKeyLKFAKBVPLBFJAY-IBGZPJMESA-N
MW450.50 g/mol
LogP0.88
Rot. Bonds4

About 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

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 (PubChem CID 127043967) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID127043967
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name8-[(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
SMILESCC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O
InChIInChI=1S/C23H26N6O4/c1-14-18(13-33-21(14)31)28-9-6-23(22(28)32)4-7-27(8-5-23)12-19(30)15-2-3-16-11-29-20(17(16)10-15)24-25-26-29/h2-3,10,19,30H,4-9,11-13H2,1H3/t19-/m0/s1
InChIKeyLKFAKBVPLBFJAY-IBGZPJMESA-N
XLogP0.88
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233033
8-[(2S)-2-(4-chloro-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122657873
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
8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461601
7-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,7-diazaspiro[3.5]nonan-3-one
CID 121345140
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122452761
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
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
3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
CID 122668709
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
(1R,5R)-8-[(2R)-2-hydroxy-2-[2-(tetrazol-1-yl)pyrimidin-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 118677064

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O.
What is the InChIKey of 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?
The InChIKey is LKFAKBVPLBFJAY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N6O4/c1-14-18(13-33-21(14)31)28-9-6-23(22(28)32)4-7-27(8-5-23)12-19(30)15-2-3-16-11-29-20(17(16)10-15)24-25-26-29/h2-3,10,19,30H,4-9,11-13H2,1H3/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 450.50 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 127043967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).