2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole

C32H20N6O2S — CID 91516242

About 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole

2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 91516242) has the molecular formula C32H20N6O2S and a molecular weight of 552.62 g/mol. Its IUPAC name is 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole
• PubChem CID: 91516242
• Molecular Formula: C32H20N6O2S
• Molecular Weight: 552.62 g/mol
• Exact Mass: 552.14
• IUPAC Name: 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole
• SMILES: c1coc(-c2csc(-c3[nH]ccc3-c3ncccc3-c3nccnc3-c3ncco3)c2-c2cc3ccccc3[nH]2)c1
• InChI: InChI=1S/C32H20N6O2S/c1-2-7-23-19(5-1)17-24(38-23)26-22(25-8-4-15-39-25)18-41-31(26)29-21(9-11-34-29)27-20(6-3-10-33-27)28-30(36-13-12-35-28)32-37-14-16-40-32/h1-18,34,38H
• InChIKey: YRGRDTXDIYKVQS-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 109.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.62
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole?

The IUPAC name of 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole (CID 91516242) is 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole is c1coc(-c2csc(-c3[nH]ccc3-c3ncccc3-c3nccnc3-c3ncco3)c2-c2cc3ccccc3[nH]2)c1.

What is the InChIKey of 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole?

The InChIKey is YRGRDTXDIYKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6O2S/c1-2-7-23-19(5-1)17-24(38-23)26-22(25-8-4-15-39-25)18-41-31(26)29-21(9-11-34-29)27-20(6-3-10-33-27)28-30(36-13-12-35-28)32-37-14-16-40-32/h1-18,34,38H.

What are the key properties of 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole?

2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 552.62 g/mol, XLogP of 8.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 91516242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).