8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C25H30N4O5 — CID 130465575

About 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 130465575) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 130465575
• Molecular Formula: C25H30N4O5
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.22
• IUPAC Name: 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
• SMILES: Cc1c([C@H](O)[C@@H](C)N2CCC3(CCN(c4ccc(=O)n(C)n4)C3=O)CC2)ccc2c1COC2=O
• InChI: InChI=1S/C25H30N4O5/c1-15-17(4-5-18-19(15)14-34-23(18)32)22(31)16(2)28-11-8-25(9-12-28)10-13-29(24(25)33)20-6-7-21(30)27(3)26-20/h4-7,16,22,31H,8-14H2,1-3H3/t16-,22-/m1/s1
• InChIKey: JICUUUBHBGKHQQ-OPAMFIHVSA-N
• XLogP: 1.70
• TPSA: 104.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 130465575) is 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1c([C@H](O)[C@@H](C)N2CCC3(CCN(c4ccc(=O)n(C)n4)C3=O)CC2)ccc2c1COC2=O.

What is the InChIKey of 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is JICUUUBHBGKHQQ-OPAMFIHVSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15-17(4-5-18-19(15)14-34-23(18)32)22(31)16(2)28-11-8-25(9-12-28)10-13-29(24(25)33)20-6-7-21(30)27(3)26-20/h4-7,16,22,31H,8-14H2,1-3H3/t16-,22-/m1/s1.

What are the key properties of 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?

8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 466.54 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1S,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 130465575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).