1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine

C36H28N8OS — CID 141284667

About 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine

1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine (PubChem CID 141284667) has the molecular formula C36H28N8OS and a molecular weight of 620.74 g/mol. Its IUPAC name is 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
• PubChem CID: 141284667
• Molecular Formula: C36H28N8OS
• Molecular Weight: 620.74 g/mol
• Exact Mass: 620.21
• IUPAC Name: 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
• SMILES: c1ccc(C2(c3ccn[nH]3)N(c3ccc[nH]3)N(c3cccs3)N(c3ccco3)C2(c2ncc[nH]2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C36H28N8OS/c1-2-12-27(13-3-1)35(30-19-21-40-41-30)36(34-38-22-23-39-34,29-15-6-11-26-10-4-5-14-28(26)29)43(32-17-8-24-45-32)44(33-18-9-25-46-33)42(35)31-16-7-20-37-31/h1-25,37H,(H,38,39)(H,40,41)
• InChIKey: BPBIYKQROLDGOA-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.74
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?

The IUPAC name of 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine (CID 141284667) is 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine.

What is the SMILES notation for 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?

The canonical SMILES for 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine is c1ccc(C2(c3ccn[nH]3)N(c3ccc[nH]3)N(c3cccs3)N(c3ccco3)C2(c2ncc[nH]2)c2cccc3ccccc23)cc1.

What is the InChIKey of 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?

The InChIKey is BPBIYKQROLDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N8OS/c1-2-12-27(13-3-1)35(30-19-21-40-41-30)36(34-38-22-23-39-34,29-15-6-11-26-10-4-5-14-28(26)29)43(32-17-8-24-45-32)44(33-18-9-25-46-33)42(35)31-16-7-20-37-31/h1-25,37H,(H,38,39)(H,40,41).

What are the key properties of 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine?

1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine has a molecular weight of 620.74 g/mol, XLogP of 7.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-5-(1H-imidazol-2-yl)-5-naphthalen-1-yl-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine is sourced from PubChem (CID 141284667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).