diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate

C22H26N2O5 — CID 91218349

IUPACdiethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C2=CCCO2)C(C)=C(C(=O)OCC)N1c1ccccc1
InChIInChI=1S/C22H26N2O5/c1-5-27-21(25)19-15(3)23(18-13-10-14-29-18)16(4)20(22(26)28-6-2)24(19)17-11-8-7-9-12-17/h7-9,11-13H,5-6,10,14H2,1-4H3
InChIKeyZHSKHDADJZNSEE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.66
Rot. Bonds6

About diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate

diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate (PubChem CID 91218349) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate
PubChem CID91218349
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namediethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C2=CCCO2)C(C)=C(C(=O)OCC)N1c1ccccc1
InChIInChI=1S/C22H26N2O5/c1-5-27-21(25)19-15(3)23(18-13-10-14-29-18)16(4)20(22(26)28-6-2)24(19)17-11-8-7-9-12-17/h7-9,11-13H,5-6,10,14H2,1-4H3
InChIKeyZHSKHDADJZNSEE-UHFFFAOYSA-N
XLogP3.66
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate?
The IUPAC name of diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate (CID 91218349) is diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate is CCOC(=O)C1=C(C)N(C2=CCCO2)C(C)=C(C(=O)OCC)N1c1ccccc1.
What is the InChIKey of diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate?
The InChIKey is ZHSKHDADJZNSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-27-21(25)19-15(3)23(18-13-10-14-29-18)16(4)20(22(26)28-6-2)24(19)17-11-8-7-9-12-17/h7-9,11-13H,5-6,10,14H2,1-4H3.
What are the key properties of diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate?
diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2,3-dihydrofuran-5-yl)-3,5-dimethyl-1-phenylpyrazine-2,6-dicarboxylate is sourced from PubChem (CID 91218349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).