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

C26H22N6O5 — CID 70236037

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 70236037) has the molecular formula C26H22N6O5 and a molecular weight of 498.50 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 70236037
• Molecular Formula: C26H22N6O5
• Molecular Weight: 498.50 g/mol
• Exact Mass: 498.17
• IUPAC Name: (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(C)c5ccncc5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C26H22N6O5/c1-31(16-7-9-27-10-8-16)22-6-5-20-19(28-22)12-21(37-20)26(24(34)29-25(35)30-26)14-32-13-15-3-4-17(36-2)11-18(15)23(32)33/h3-12H,13-14H2,1-2H3,(H2,29,30,34,35)/t26-/m0/s1
• InChIKey: QEJWBUCRGUMGIW-SANMLTNESA-N
• XLogP: 2.69
• TPSA: 129.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.50
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
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 (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 70236037) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(C)c5ccncc5)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is QEJWBUCRGUMGIW-SANMLTNESA-N. The full InChI is InChI=1S/C26H22N6O5/c1-31(16-7-9-27-10-8-16)22-6-5-20-19(28-22)12-21(37-20)26(24(34)29-25(35)30-26)14-32-13-15-3-4-17(36-2)11-18(15)23(32)33/h3-12H,13-14H2,1-2H3,(H2,29,30,34,35)/t26-/m0/s1.

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 498.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70236037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).