[(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate

C26H26N4O7 — CID 46190374

About [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate

[(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 46190374) has the molecular formula C26H26N4O7 and a molecular weight of 506.52 g/mol. Its IUPAC name is [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 46190374
• Molecular Formula: C26H26N4O7
• Molecular Weight: 506.52 g/mol
• Exact Mass: 506.18
• IUPAC Name: [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2
• InChI: InChI=1S/C26H26N4O7/c1-25(2,3)23(33)36-14-30-22(32)26(28-24(30)34,20-11-18-19(37-20)6-5-9-27-18)13-29-12-15-7-8-16(35-4)10-17(15)21(29)31/h5-11H,12-14H2,1-4H3,(H,28,34)/t26-/m0/s1
• InChIKey: KHODZFFFDOKNOW-SANMLTNESA-N
• XLogP: 2.79
• TPSA: 131.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.52
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate (CID 46190374) is [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2.

What is the InChIKey of [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is KHODZFFFDOKNOW-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N4O7/c1-25(2,3)23(33)36-14-30-22(32)26(28-24(30)34,20-11-18-19(37-20)6-5-9-27-18)13-29-12-15-7-8-16(35-4)10-17(15)21(29)31/h5-11H,12-14H2,1-4H3,(H,28,34)/t26-/m0/s1.

What are the key properties of [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

[(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 506.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-furo[3,2-b]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 46190374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).