2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine

C30H23N3O2S — CID 162415138

IUPAC2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(Cc3ccccc3)c(-c3cnccn3)c(-c3ccco3)c2-c2cccs2)cc1
InChIInChI=1S/C30H23N3O2S/c1-34-23-13-11-22(12-14-23)33-25(19-21-7-3-2-4-8-21)28(24-20-31-15-16-32-24)29(26-9-5-17-35-26)30(33)27-10-6-18-36-27/h2-18,20H,19H2,1H3
InChIKeyYNOZABCIZMLHMH-UHFFFAOYSA-N
MW489.60 g/mol
LogP7.52
Rot. Bonds7

About 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine

2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine (PubChem CID 162415138) has the molecular formula C30H23N3O2S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine
PubChem CID162415138
Molecular FormulaC30H23N3O2S
Molecular Weight489.60 g/mol
Exact Mass489.15
IUPAC Name2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(Cc3ccccc3)c(-c3cnccn3)c(-c3ccco3)c2-c2cccs2)cc1
InChIInChI=1S/C30H23N3O2S/c1-34-23-13-11-22(12-14-23)33-25(19-21-7-3-2-4-8-21)28(24-20-31-15-16-32-24)29(26-9-5-17-35-26)30(33)27-10-6-18-36-27/h2-18,20H,19H2,1H3
InChIKeyYNOZABCIZMLHMH-UHFFFAOYSA-N
XLogP7.52
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(Furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 157947510
1-(4-Methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde
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2-[3-(Furan-2-yl)quinolin-4-yl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine?
The IUPAC name of 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine (CID 162415138) is 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine.
What is the SMILES notation for 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine?
The canonical SMILES for 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine is COc1ccc(-n2c(Cc3ccccc3)c(-c3cnccn3)c(-c3ccco3)c2-c2cccs2)cc1.
What is the InChIKey of 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine?
The InChIKey is YNOZABCIZMLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2S/c1-34-23-13-11-22(12-14-23)33-25(19-21-7-3-2-4-8-21)28(24-20-31-15-16-32-24)29(26-9-5-17-35-26)30(33)27-10-6-18-36-27/h2-18,20H,19H2,1H3.
What are the key properties of 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine?
2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine has a molecular weight of 489.60 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine is sourced from PubChem (CID 162415138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).