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

C22H19FN4O5 — CID 163521407

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

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 163521407) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
• PubChem CID: 163521407
• Molecular Formula: C22H19FN4O5
• Molecular Weight: 438.42 g/mol
• Exact Mass: 438.13
• IUPAC Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4cc(C)ncc4o3)C(=O)NC(=O)N1C)C2
• InChI: InChI=1S/C22H19FN4O5/c1-11-6-13-7-16(32-15(13)8-24-11)22(20(29)25-21(30)26(22)2)10-27-9-12-4-5-14(31-3)18(23)17(12)19(27)28/h4-8H,9-10H2,1-3H3,(H,25,29,30)/t22-/m0/s1
• InChIKey: DLDGKNUVUXVASG-QFIPXVFZSA-N
• XLogP: 2.32
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.42
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
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-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 163521407) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4cc(C)ncc4o3)C(=O)NC(=O)N1C)C2.

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

The InChIKey is DLDGKNUVUXVASG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19FN4O5/c1-11-6-13-7-16(32-15(13)8-24-11)22(20(29)25-21(30)26(22)2)10-27-9-12-4-5-14(31-3)18(23)17(12)19(27)28/h4-8H,9-10H2,1-3H3,(H,25,29,30)/t22-/m0/s1.

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

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 438.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 163521407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).