2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one

C23H25N5O2 — CID 87050144

IUPAC2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
SMILESC=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(C)c3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O2/c1-3-10-28-21-19(8-5-9-24-21)25-22(23(28)30)27-13-11-26(12-14-27)20(29)16-18-7-4-6-17(2)15-18/h3-9,15H,1,10-14,16H2,2H3
InChIKeyVQUNNZBIQOMVEA-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one

2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one (PubChem CID 87050144) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
PubChem CID87050144
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
SMILESC=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(C)c3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O2/c1-3-10-28-21-19(8-5-9-24-21)25-22(23(28)30)27-13-11-26(12-14-27)20(29)16-18-7-4-6-17(2)15-18/h3-9,15H,1,10-14,16H2,2H3
InChIKeyVQUNNZBIQOMVEA-UHFFFAOYSA-N
XLogP2.18
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
CID 53021568
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 95110117
1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
CID 83272856
1-(3-chloro-2-methylphenyl)-3-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021749
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
2-(3-methylphenyl)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344113
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021518
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one (CID 87050144) is 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one is C=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(C)c3)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is VQUNNZBIQOMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-10-28-21-19(8-5-9-24-21)25-22(23(28)30)27-13-11-26(12-14-27)20(29)16-18-7-4-6-17(2)15-18/h3-9,15H,1,10-14,16H2,2H3.
What are the key properties of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 403.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 87050144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).