1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine

C31H22N8O2 — CID 140970701

About 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine

1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine (PubChem CID 140970701) has the molecular formula C31H22N8O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine.

Molecular Properties

• Compound Name: 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine
• PubChem CID: 140970701
• Molecular Formula: C31H22N8O2
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.19
• IUPAC Name: 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine
• SMILES: c1ccc(C2(c3ccco3)C(c3ccn[nH]3)=NC(c3ncc[nH]3)=C(c3ccc[nH]3)N2c2cc3ccccc3o2)nc1
• InChI: InChI=1S/C31H22N8O2/c1-2-9-23-20(7-1)19-26(41-23)39-28(21-8-5-14-32-21)27(30-34-16-17-35-30)37-29(22-12-15-36-38-22)31(39,25-11-6-18-40-25)24-10-3-4-13-33-24/h1-19,32H,(H,34,35)(H,36,38)
• InChIKey: NSZNRCMFYJOZNG-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine?

The IUPAC name of 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine (CID 140970701) is 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine.

What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine?

The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine is c1ccc(C2(c3ccco3)C(c3ccn[nH]3)=NC(c3ncc[nH]3)=C(c3ccc[nH]3)N2c2cc3ccccc3o2)nc1.

What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine?

The InChIKey is NSZNRCMFYJOZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N8O2/c1-2-9-23-20(7-1)19-26(41-23)39-28(21-8-5-14-32-21)27(30-34-16-17-35-30)37-29(22-12-15-36-38-22)31(39,25-11-6-18-40-25)24-10-3-4-13-33-24/h1-19,32H,(H,34,35)(H,36,38).

What are the key properties of 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine?

1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine has a molecular weight of 538.57 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-2-yl)-2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)pyrazine is sourced from PubChem (CID 140970701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).