ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate

C25H28N2O5 — CID 90771332

IUPACethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3
InChIKeyZFCRJRIBZXMJEL-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.32
Rot. Bonds8

About ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate

ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate (PubChem CID 90771332) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
PubChem CID90771332
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Nameethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3
InChIKeyZFCRJRIBZXMJEL-UHFFFAOYSA-N
XLogP3.32
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate (CID 90771332) is ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate is CCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1.
What is the InChIKey of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The InChIKey is ZFCRJRIBZXMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3.
What are the key properties of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate has a molecular weight of 436.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate is sourced from PubChem (CID 90771332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).