ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate

C24H26N2O6 — CID 54122780

IUPACethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate
SMILESCCCc1c(OCc2ccc3ncc(CC(=O)OCC)c(=O)n3c2)ccc(C(C)=O)c1O
InChIInChI=1S/C24H26N2O6/c1-4-6-19-20(9-8-18(15(3)27)23(19)29)32-14-16-7-10-21-25-12-17(11-22(28)31-5-2)24(30)26(21)13-16/h7-10,12-13,29H,4-6,11,14H2,1-3H3
InChIKeyNOWVGXRTFJVPLX-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.24
Rot. Bonds9

About ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate

ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate (PubChem CID 54122780) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate
PubChem CID54122780
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Nameethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate
SMILESCCCc1c(OCc2ccc3ncc(CC(=O)OCC)c(=O)n3c2)ccc(C(C)=O)c1O
InChIInChI=1S/C24H26N2O6/c1-4-6-19-20(9-8-18(15(3)27)23(19)29)32-14-16-7-10-21-25-12-17(11-22(28)31-5-2)24(30)26(21)13-16/h7-10,12-13,29H,4-6,11,14H2,1-3H3
InChIKeyNOWVGXRTFJVPLX-UHFFFAOYSA-N
XLogP3.24
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-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-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate?
The IUPAC name of ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate (CID 54122780) is ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate is CCCc1c(OCc2ccc3ncc(CC(=O)OCC)c(=O)n3c2)ccc(C(C)=O)c1O.
What is the InChIKey of ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate?
The InChIKey is NOWVGXRTFJVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-4-6-19-20(9-8-18(15(3)27)23(19)29)32-14-16-7-10-21-25-12-17(11-22(28)31-5-2)24(30)26(21)13-16/h7-10,12-13,29H,4-6,11,14H2,1-3H3.
What are the key properties of ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate?
ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate has a molecular weight of 438.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetate is sourced from PubChem (CID 54122780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).