2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine

C₂₂H₁₆N₂O₂S — CID 141066194

About 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine

2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine (PubChem CID 141066194) has the molecular formula C₂₂H₁₆N₂O₂S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine
• PubChem CID: 141066194
• Molecular Formula: C₂₂H₁₆N₂O₂S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.09
• IUPAC Name: 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine
• SMILES: C1=C(c2ccccn2)C(c2ccc[nH]2)=C(c2ccco2)C(c2cccs2)O1
• InChI: InChI=1S/C22H16N2O2S/c1-2-10-23-16(6-1)15-14-26-22(19-9-5-13-27-19)21(18-8-4-12-25-18)20(15)17-7-3-11-24-17/h1-14,22,24H
• InChIKey: VVNUNZUXZRIPFT-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 51.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine?

The IUPAC name of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine (CID 141066194) is 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine.

What is the SMILES notation for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine?

The canonical SMILES for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine is C1=C(c2ccccn2)C(c2ccc[nH]2)=C(c2ccco2)C(c2cccs2)O1.

What is the InChIKey of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine?

The InChIKey is VVNUNZUXZRIPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c1-2-10-23-16(6-1)15-14-26-22(19-9-5-13-27-19)21(18-8-4-12-25-18)20(15)17-7-3-11-24-17/h1-14,22,24H.

What are the key properties of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine?

2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine has a molecular weight of 372.45 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyran-5-yl]pyridine is sourced from PubChem (CID 141066194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141066194 — identifiers, structure, computed properties (public domain)

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