2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine

C31H22N10OS — CID 141206086

About 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine

2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine (PubChem CID 141206086) has the molecular formula C31H22N10OS and a molecular weight of 582.65 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine
• PubChem CID: 141206086
• Molecular Formula: C31H22N10OS
• Molecular Weight: 582.65 g/mol
• Exact Mass: 582.17
• IUPAC Name: 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine
• SMILES: c1ccc(C2=C(c3cccs3)N(c3ccco3)C(c3cnccn3)(c3ccn[nH]3)C2(c2ncccn2)c2ncc[nH]2)nc1
• InChI: InChI=1S/C31H22N10OS/c1-2-10-33-21(6-1)26-27(22-7-4-19-43-22)41(25-8-3-18-42-25)31(23-9-13-39-40-23,24-20-32-14-15-34-24)30(26,29-37-16-17-38-29)28-35-11-5-12-36-28/h1-20H,(H,37,38)(H,39,40)
• InChIKey: BUOILOCIXYGCNM-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 138.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.65
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine?

The IUPAC name of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine (CID 141206086) is 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine.

What is the SMILES notation for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine?

The canonical SMILES for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine is c1ccc(C2=C(c3cccs3)N(c3ccco3)C(c3cnccn3)(c3ccn[nH]3)C2(c2ncccn2)c2ncc[nH]2)nc1.

What is the InChIKey of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine?

The InChIKey is BUOILOCIXYGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N10OS/c1-2-10-33-21(6-1)26-27(22-7-4-19-43-22)41(25-8-3-18-42-25)31(23-9-13-39-40-23,24-20-32-14-15-34-24)30(26,29-37-16-17-38-29)28-35-11-5-12-36-28/h1-20H,(H,37,38)(H,39,40).

What are the key properties of 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine?

2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine has a molecular weight of 582.65 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine is sourced from PubChem (CID 141206086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).