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

C26H22N8O2S — CID 141307330

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

2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine (PubChem CID 141307330) has the molecular formula C26H22N8O2S and a molecular weight of 510.58 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine
• PubChem CID: 141307330
• Molecular Formula: C26H22N8O2S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.16
• IUPAC Name: 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine
• SMILES: C1=COC(C2(c3cccs3)C(c3cnccn3)N(c3ccn[nH]3)N(c3ccc[nH]3)N2c2ccco2)C=C1
• InChI: InChI=1S/C26H22N8O2S/c1-2-15-35-20(6-1)26(21-7-5-17-37-21)25(19-18-27-13-14-28-19)32(23-10-12-30-31-23)34(22-8-3-11-29-22)33(26)24-9-4-16-36-24/h1-18,20,25,29H,(H,30,31)
• InChIKey: FWYRUKMWSOCVSE-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 102.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine (CID 141307330) is 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine.

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

The canonical SMILES for 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine is C1=COC(C2(c3cccs3)C(c3cnccn3)N(c3ccn[nH]3)N(c3ccc[nH]3)N2c2ccco2)C=C1.

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

The InChIKey is FWYRUKMWSOCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2S/c1-2-15-35-20(6-1)26(21-7-5-17-37-21)25(19-18-27-13-14-28-19)32(23-10-12-30-31-23)34(22-8-3-11-29-22)33(26)24-9-4-16-36-24/h1-18,20,25,29H,(H,30,31).

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

2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine has a molecular weight of 510.58 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine is sourced from PubChem (CID 141307330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).