3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C22H26N8O4 — CID 135184194

About 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 135184194) has the molecular formula C22H26N8O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 135184194
• Molecular Formula: C22H26N8O4
• Molecular Weight: 466.50 g/mol
• Exact Mass: 466.21
• IUPAC Name: 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• SMILES: O=C1C=C(N2C(=O)C3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)CC2C2CC2)CO1
• InChI: InChI=1S/C22H26N8O4/c31-18(16-3-4-19(25-24-16)29-13-23-26-27-29)11-28-7-5-22(6-8-28)10-17(14-1-2-14)30(21(22)33)15-9-20(32)34-12-15/h3-4,9,13-14,17-18,31H,1-2,5-8,10-12H2
• InChIKey: GGYGGJXGHOMXSM-UHFFFAOYSA-N
• XLogP: 0.02
• TPSA: 139.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.50
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 135184194) is 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is O=C1C=C(N2C(=O)C3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)CC2C2CC2)CO1.

What is the InChIKey of 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is GGYGGJXGHOMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O4/c31-18(16-3-4-19(25-24-16)29-13-23-26-27-29)11-28-7-5-22(6-8-28)10-17(14-1-2-14)30(21(22)33)15-9-20(32)34-12-15/h3-4,9,13-14,17-18,31H,1-2,5-8,10-12H2.

What are the key properties of 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 466.50 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 135184194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).