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

C23H25N5O3 — CID 53021568

IUPAC2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
SMILESC=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O3/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)16-17-6-4-7-18(15-17)31-2/h3-9,15H,1,10-14,16H2,2H3
InChIKeyFMVPQJSLUFXZJO-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.88
Rot. Bonds6

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

2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one (PubChem CID 53021568) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
PubChem CID53021568
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
SMILESC=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2cccnc21
InChIInChI=1S/C23H25N5O3/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)16-17-6-4-7-18(15-17)31-2/h3-9,15H,1,10-14,16H2,2H3
InChIKeyFMVPQJSLUFXZJO-UHFFFAOYSA-N
XLogP1.88
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
CID 87050144
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
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
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
2-(3-methoxyphenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589661
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
CID 83272856
1-[(3aR,6aS)-1-prop-2-enyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-(3-methoxyphenyl)ethanone
CID 97458931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one (CID 53021568) is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one is C=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is FMVPQJSLUFXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/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)16-17-6-4-7-18(15-17)31-2/h3-9,15H,1,10-14,16H2,2H3.
What are the key properties of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one?
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 419.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53021568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).