8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one

C24H27N3O4 — CID 121313948

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

8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121313948) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 121313948
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.20
• IUPAC Name: 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
• SMILES: Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccncc2)C3=O)ccc2c1COC2=O
• InChI: InChI=1S/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/m0/s1
• InChIKey: RSXZHMMKTWSARQ-NRFANRHFSA-N
• XLogP: 2.61
• TPSA: 82.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one (CID 121313948) is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one.

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

The canonical SMILES for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one is Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccncc2)C3=O)ccc2c1COC2=O.

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

The InChIKey is RSXZHMMKTWSARQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/m0/s1.

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

8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 421.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121313948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).