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

C23H21N5O7 — CID 77403705

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

2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide (PubChem CID 77403705) has the molecular formula C23H21N5O7 and a molecular weight of 479.45 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
• PubChem CID: 77403705
• Molecular Formula: C23H21N5O7
• Molecular Weight: 479.45 g/mol
• Exact Mass: 479.14
• IUPAC Name: 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(NC(=O)C(C)O)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H21N5O7/c1-11(29)19(30)25-18-6-5-16-15(24-18)8-17(35-16)23(21(32)26-22(33)27-23)10-28-9-12-3-4-13(34-2)7-14(12)20(28)31/h3-8,11,29H,9-10H2,1-2H3,(H,24,25,30)(H2,26,27,32,33)
• InChIKey: NOCZHZGNXNHVMN-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 163.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.45
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	4
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 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide?

The IUPAC name of 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide (CID 77403705) is 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide.

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

The canonical SMILES for 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide is COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(NC(=O)C(C)O)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is NOCZHZGNXNHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O7/c1-11(29)19(30)25-18-6-5-16-15(24-18)8-17(35-16)23(21(32)26-22(33)27-23)10-28-9-12-3-4-13(34-2)7-14(12)20(28)31/h3-8,11,29H,9-10H2,1-2H3,(H,24,25,30)(H2,26,27,32,33).

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

2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide has a molecular weight of 479.45 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 77403705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).