2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine

C31H23N9O2S — CID 141196716

About 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine

2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine (PubChem CID 141196716) has the molecular formula C31H23N9O2S and a molecular weight of 585.65 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine
• PubChem CID: 141196716
• Molecular Formula: C31H23N9O2S
• Molecular Weight: 585.65 g/mol
• Exact Mass: 585.17
• IUPAC Name: 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine
• SMILES: C1=COC(C2=C(c3cnccn3)C(c3ccn[nH]3)=C(c3ccc[nH]3)N(c3ccco3)C2(c2cn[nH]n2)c2cccs2)C=C1
• InChI: InChI=1S/C31H23N9O2S/c1-2-15-41-23(7-1)29-27(22-18-32-13-14-34-22)28(20-10-12-35-37-20)30(21-6-3-11-33-21)40(26-9-4-16-42-26)31(29,24-19-36-39-38-24)25-8-5-17-43-25/h1-19,23,33H,(H,35,37)(H,36,38,39)
• InChIKey: PUWRAHSOLRUIAE-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 137.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.65
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine?

The IUPAC name of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine (CID 141196716) is 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine.

What is the SMILES notation for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine?

The canonical SMILES for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine is C1=COC(C2=C(c3cnccn3)C(c3ccn[nH]3)=C(c3ccc[nH]3)N(c3ccco3)C2(c2cn[nH]n2)c2cccs2)C=C1.

What is the InChIKey of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine?

The InChIKey is PUWRAHSOLRUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N9O2S/c1-2-15-41-23(7-1)29-27(22-18-32-13-14-34-22)28(20-10-12-35-37-20)30(21-6-3-11-33-21)40(26-9-4-16-42-26)31(29,24-19-36-39-38-24)25-8-5-17-43-25/h1-19,23,33H,(H,35,37)(H,36,38,39).

What are the key properties of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine?

2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine has a molecular weight of 585.65 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine is sourced from PubChem (CID 141196716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).