(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C23H20N4O5 — CID 46199982

About (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46199982) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 46199982
• Molecular Formula: C23H20N4O5
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.14
• IUPAC Name: (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(C5CC5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H20N4O5/c1-31-14-5-4-13-10-27(20(28)15(13)8-14)11-23(21(29)25-22(30)26-23)19-9-17-18(32-19)7-6-16(24-17)12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H2,25,26,29,30)/t23-/m0/s1
• InChIKey: XBVUSFUNCADNGS-QHCPKHFHSA-N
• XLogP: 2.40
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46199982) is (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(C5CC5)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is XBVUSFUNCADNGS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-31-14-5-4-13-10-27(20(28)15(13)8-14)11-23(21(29)25-22(30)26-23)19-9-17-18(32-19)7-6-16(24-17)12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H2,25,26,29,30)/t23-/m0/s1.

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

(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 432.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46199982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).