2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one

C22H24ClN5O3 — CID 53194637

IUPAC2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)nc2ccncc21
InChIInChI=1S/C22H24ClN5O3/c1-3-28-18-14-24-7-6-17(18)25-21(22(28)30)27-10-8-26(9-11-27)20(29)13-15-4-5-19(31-2)16(23)12-15/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyMFMLIGXYLNJVGC-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one

2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194637) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194637
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)nc2ccncc21
InChIInChI=1S/C22H24ClN5O3/c1-3-28-18-14-24-7-6-17(18)25-21(22(28)30)27-10-8-26(9-11-27)20(29)13-15-4-5-19(31-2)16(23)12-15/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyMFMLIGXYLNJVGC-UHFFFAOYSA-N
XLogP2.36
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110767057
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
2-(3-chloro-4-methoxyphenyl)-1-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202513
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194578
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
CID 53194675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one (CID 53194637) is 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one is CCn1c(=O)c(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is MFMLIGXYLNJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-3-28-18-14-24-7-6-17(18)25-21(22(28)30)27-10-8-26(9-11-27)20(29)13-15-4-5-19(31-2)16(23)12-15/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one?
2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 441.92 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).