2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole

C41H29N13O3S2 — CID 141441719

About 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole

2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole (PubChem CID 141441719) has the molecular formula C41H29N13O3S2 and a molecular weight of 815.91 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole
• PubChem CID: 141441719
• Molecular Formula: C41H29N13O3S2
• Molecular Weight: 815.91 g/mol
• Exact Mass: 815.20
• IUPAC Name: 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3ccc[nH]3)C(c3ccco3)(c3nccs3)N(c3ccon3)N(c3ncco3)C(c3ncccn3)(c3ncc[nH]3)C2(c2cnccn2)c2cccs2)nc1
• InChI: InChI=1S/C41H29N13O3S2/c1-2-12-43-28(7-1)38(29-8-3-13-44-29)39(32-10-5-25-58-32,30-27-42-16-17-45-30)41(35-48-18-19-49-35,34-46-14-6-15-47-34)54(37-51-20-24-56-37)53(33-11-23-57-52-33)40(38,31-9-4-22-55-31)36-50-21-26-59-36/h1-27,44H,(H,48,49)
• InChIKey: FQHNTJBXPUFSCA-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 193.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.91
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole?

The IUPAC name of 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole (CID 141441719) is 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole is c1ccc(C2(c3ccc[nH]3)C(c3ccco3)(c3nccs3)N(c3ccon3)N(c3ncco3)C(c3ncccn3)(c3ncc[nH]3)C2(c2cnccn2)c2cccs2)nc1.

What is the InChIKey of 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole?

The InChIKey is FQHNTJBXPUFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N13O3S2/c1-2-12-43-28(7-1)38(29-8-3-13-44-29)39(32-10-5-25-58-32,30-27-42-16-17-45-30)41(35-48-18-19-49-35,34-46-14-6-15-47-34)54(37-51-20-24-56-37)53(33-11-23-57-52-33)40(38,31-9-4-22-55-31)36-50-21-26-59-36/h1-27,44H,(H,48,49).

What are the key properties of 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole?

2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole has a molecular weight of 815.91 g/mol, XLogP of 6.90, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole is sourced from PubChem (CID 141441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).