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

C20H24N8O3 — CID 118225217

IUPAC2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(NCc4ccc(-n5ncnn5)nn4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H24N8O3/c1-13-16(11-31-18(13)29)27-9-8-20(19(27)30)6-4-14(5-7-20)21-10-15-2-3-17(25-24-15)28-23-12-22-26-28/h2-3,12,14,21H,4-11H2,1H3
InChIKeyGYWPYIVIZPQBMD-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.53
Rot. Bonds5

About 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

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 (PubChem CID 118225217) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
PubChem CID118225217
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(NCc4ccc(-n5ncnn5)nn4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H24N8O3/c1-13-16(11-31-18(13)29)27-9-8-20(19(27)30)6-4-14(5-7-20)21-10-15-2-3-17(25-24-15)28-23-12-22-26-28/h2-3,12,14,21H,4-11H2,1H3
InChIKeyGYWPYIVIZPQBMD-UHFFFAOYSA-N
XLogP0.53
TPSA128.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
CID 135212075
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-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
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-[2-[5-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-azaspiro[4.5]decan-1-one
CID 147293928
8-[[6-[(diazenyl-λ3-iodanylidene)methylamino]-3-pyridinyl]methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144882894
8-[[(2Z,4E)-2,5-diamino-5-[ethenyl-(methylideneamino)amino]penta-2,4-dienyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 135212238
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
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
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-[(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-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(N2CCC3(CCC(NCc4ccc(-n5ncnn5)nn4)CC3)C2=O)COC1=O.
What is the InChIKey of 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?
The InChIKey is GYWPYIVIZPQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-13-16(11-31-18(13)29)27-9-8-20(19(27)30)6-4-14(5-7-20)21-10-15-2-3-17(25-24-15)28-23-12-22-26-28/h2-3,12,14,21H,4-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 424.47 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118225217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).