4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole

C32H22N8OS — CID 140998691

About 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole

4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole (PubChem CID 140998691) has the molecular formula C32H22N8OS and a molecular weight of 566.65 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole
• PubChem CID: 140998691
• Molecular Formula: C32H22N8OS
• Molecular Weight: 566.65 g/mol
• Exact Mass: 566.16
• IUPAC Name: 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole
• SMILES: c1ccc(-c2ccc3c(c2-c2ccco2)C(c2cccs2)C(c2cnccn2)(c2ncc[nH]2)N3c2ncccn2)nc1
• InChI: InChI=1S/C32H22N8OS/c1-2-11-34-22(6-1)21-9-10-23-28(27(21)24-7-3-18-41-24)29(25-8-4-19-42-25)32(30-36-16-17-37-30,26-20-33-14-15-35-26)40(23)31-38-12-5-13-39-31/h1-20,29H,(H,36,37)
• InChIKey: BOXBIBSVUYTMES-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 109.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole?

The IUPAC name of 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole (CID 140998691) is 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole.

What is the SMILES notation for 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole?

The canonical SMILES for 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole is c1ccc(-c2ccc3c(c2-c2ccco2)C(c2cccs2)C(c2cnccn2)(c2ncc[nH]2)N3c2ncccn2)nc1.

What is the InChIKey of 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole?

The InChIKey is BOXBIBSVUYTMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N8OS/c1-2-11-34-22(6-1)21-9-10-23-28(27(21)24-7-3-18-41-24)29(25-8-4-19-42-25)32(30-36-16-17-37-30,26-20-33-14-15-35-26)40(23)31-38-12-5-13-39-31/h1-20,29H,(H,36,37).

What are the key properties of 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole?

4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole has a molecular weight of 566.65 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole is sourced from PubChem (CID 140998691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).