(5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C27H30N4O8 — CID 46190105

About (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46190105) has the molecular formula C27H30N4O8 and a molecular weight of 538.56 g/mol. Its IUPAC name is (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 46190105
• Molecular Formula: C27H30N4O8
• Molecular Weight: 538.56 g/mol
• Exact Mass: 538.21
• IUPAC Name: (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COCCOCCOCCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O
• InChI: InChI=1S/C27H30N4O8/c1-35-9-10-38-12-11-37-8-7-31-25(33)27(29-26(31)34,23-13-19-15-28-6-5-22(19)39-23)17-30-16-18-3-4-20(36-2)14-21(18)24(30)32/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,29,34)/t27-/m0/s1
• InChIKey: KSWTWYZAKCRKGX-MHZLTWQESA-N
• XLogP: 1.92
• TPSA: 132.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.56
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46190105) is (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COCCOCCOCCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O.

What is the InChIKey of (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is KSWTWYZAKCRKGX-MHZLTWQESA-N. The full InChI is InChI=1S/C27H30N4O8/c1-35-9-10-38-12-11-37-8-7-31-25(33)27(29-26(31)34,23-13-19-15-28-6-5-22(19)39-23)17-30-16-18-3-4-20(36-2)14-21(18)24(30)32/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,29,34)/t27-/m0/s1.

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

(5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 538.56 g/mol, XLogP of 1.92, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-furo[3,2-c]pyridin-2-yl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46190105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).