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

C22H27N7O3 — CID 147293928

IUPAC2-(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
SMILESCC1=C(N2CCC3(CCC(CCc4cc(C)c(-n5cnnn5)nn4)CC3)C2=O)COC1=O
InChIInChI=1S/C22H27N7O3/c1-14-11-17(24-25-19(14)29-13-23-26-27-29)4-3-16-5-7-22(8-6-16)9-10-28(21(22)31)18-12-32-20(30)15(18)2/h11,13,16H,3-10,12H2,1-2H3
InChIKeyCUSUMHLOQDYBGA-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.93
Rot. Bonds5

About 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

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 (PubChem CID 147293928) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID147293928
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name2-(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
SMILESCC1=C(N2CCC3(CCC(CCc4cc(C)c(-n5cnnn5)nn4)CC3)C2=O)COC1=O
InChIInChI=1S/C22H27N7O3/c1-14-11-17(24-25-19(14)29-13-23-26-27-29)4-3-16-5-7-22(8-6-16)9-10-28(21(22)31)18-12-32-20(30)15(18)2/h11,13,16H,3-10,12H2,1-2H3
InChIKeyCUSUMHLOQDYBGA-UHFFFAOYSA-N
XLogP1.93
TPSA115.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-[1-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethylamino]-2-azaspiro[4.5]decan-1-one
CID 123604618
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
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
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
(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
8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461764
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118225217
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
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123329735
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(N2CCC3(CCC(CCc4cc(C)c(-n5cnnn5)nn4)CC3)C2=O)COC1=O.
What is the InChIKey of 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?
The InChIKey is CUSUMHLOQDYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-14-11-17(24-25-19(14)29-13-23-26-27-29)4-3-16-5-7-22(8-6-16)9-10-28(21(22)31)18-12-32-20(30)15(18)2/h11,13,16H,3-10,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 437.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147293928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).