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

C22H28N8O3 — CID 123604618

About 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

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 (PubChem CID 123604618) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 123604618
• Molecular Formula: C22H28N8O3
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.23
• IUPAC Name: 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
• SMILES: CC1=C(N2CCC3(CCC(NC(C)c4nnc(-n5cnnn5)cc4C)CC3)C2=O)COC1=O
• InChI: InChI=1S/C22H28N8O3/c1-13-10-18(30-12-23-27-28-30)25-26-19(13)15(3)24-16-4-6-22(7-5-16)8-9-29(21(22)32)17-11-33-20(31)14(17)2/h10,12,15-16,24H,4-9,11H2,1-3H3
• InChIKey: UFJYSGZAFGMLEZ-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 128.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1=C(N2CCC3(CCC(NC(C)c4nnc(-n5cnnn5)cc4C)CC3)C2=O)COC1=O.

What is the InChIKey of 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?

The InChIKey is UFJYSGZAFGMLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-13-10-18(30-12-23-27-28-30)25-26-19(13)15(3)24-16-4-6-22(7-5-16)8-9-29(21(22)32)17-11-33-20(31)14(17)2/h10,12,15-16,24H,4-9,11H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 452.52 g/mol, XLogP of 1.40, 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-[1-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethylamino]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 123604618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).