2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

C24H28N6O4 — CID 124873450

About 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (PubChem CID 124873450) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
• PubChem CID: 124873450
• Molecular Formula: C24H28N6O4
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.22
• IUPAC Name: 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
• SMILES: COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CC(C)C)c3nnc4ccccn34)C2=O)cc1
• InChI: InChI=1S/C24H28N6O4/c1-15(2)12-18(22-28-27-20-6-4-5-11-29(20)22)25-21(31)13-19-23(32)30(24(33)26-19)14-16-7-9-17(34-3)10-8-16/h4-11,15,18-19H,12-14H2,1-3H3,(H,25,31)(H,26,33)/t18-,19+/m1/s1
• InChIKey: BDQHQOCXODKOJJ-MOPGFXCFSA-N
• XLogP: 2.45
• TPSA: 117.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?

The IUPAC name of 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (CID 124873450) is 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

What is the SMILES notation for 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?

The canonical SMILES for 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CC(C)C)c3nnc4ccccn34)C2=O)cc1.

What is the InChIKey of 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?

The InChIKey is BDQHQOCXODKOJJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15(2)12-18(22-28-27-20-6-4-5-11-29(20)22)25-21(31)13-19-23(32)30(24(33)26-19)14-16-7-9-17(34-3)10-8-16/h4-11,15,18-19H,12-14H2,1-3H3,(H,25,31)(H,26,33)/t18-,19+/m1/s1.

What are the key properties of 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?

2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide has a molecular weight of 464.53 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 124873450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).