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

C23H22N4O6 — CID 46190143

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

(5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46190143) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 46190143
• Molecular Formula: C23H22N4O6
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.15
• IUPAC Name: (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: CCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O
• InChI: InChI=1S/C23H22N4O6/c1-3-32-13-27-21(29)23(25-22(27)30,19-8-15-10-24-7-6-18(15)33-19)12-26-11-14-4-5-16(31-2)9-17(14)20(26)28/h4-10H,3,11-13H2,1-2H3,(H,25,30)/t23-/m0/s1
• InChIKey: IDSIBKYBDZLZQC-QHCPKHFHSA-N
• XLogP: 2.23
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
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 (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46190143) is (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O.

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

The InChIKey is IDSIBKYBDZLZQC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-3-32-13-27-21(29)23(25-22(27)30,19-8-15-10-24-7-6-18(15)33-19)12-26-11-14-4-5-16(31-2)9-17(14)20(26)28/h4-10H,3,11-13H2,1-2H3,(H,25,30)/t23-/m0/s1.

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

(5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 450.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-(ethoxymethyl)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46190143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).