VN339

C₂₂H₁₆N₄O — CID 155891794

About VN339

VN339 (PubChem CID 155891794) has the molecular formula C₂₂H₁₆N₄O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine.

Molecular Properties

• Compound Name: VN339
• PubChem CID: 155891794
• Molecular Formula: C₂₂H₁₆N₄O
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.13
• IUPAC Name: 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
• SMILES: Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1
• InChI: InChI=1S/C22H16N4O/c1-26-13-18(12-24-26)20-5-6-21-22(25-20)19(14-27-21)17-4-2-3-16(11-17)15-7-9-23-10-8-15/h2-14H,1H3
• InChIKey: HEAGNKNMQVIVMM-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of VN339?

The IUPAC name of VN339 (CID 155891794) is 5-(1-methylpyrazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine.

What is the SMILES notation for VN339?

The canonical SMILES for VN339 is Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1.

What is the InChIKey of VN339?

The InChIKey is HEAGNKNMQVIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-26-13-18(12-24-26)20-5-6-21-22(25-20)19(14-27-21)17-4-2-3-16(11-17)15-7-9-23-10-8-15/h2-14H,1H3.

What are the key properties of VN339?

VN339 has a molecular weight of 352.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for VN339 is sourced from PubChem (CID 155891794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155891794 — identifiers, structure, computed properties (public domain)

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