4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one

C21H23N5O2 — CID 83273218

IUPAC4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C21H23N5O2/c1-2-18(27)24-11-13-25(14-12-24)20-21(28)26(15-16-7-4-3-5-8-16)19-17(23-20)9-6-10-22-19/h3-10H,2,11-15H2,1H3
InChIKeyJKVCJIZASKBFJE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.90
Rot. Bonds4

About 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one

4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 83273218) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID83273218
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C21H23N5O2/c1-2-18(27)24-11-13-25(14-12-24)20-21(28)26(15-16-7-4-3-5-8-16)19-17(23-20)9-6-10-22-19/h3-10H,2,11-15H2,1H3
InChIKeyJKVCJIZASKBFJE-UHFFFAOYSA-N
XLogP1.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021537
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
4-benzyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 87050141
4-benzyl-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53131577
methyl (2S)-2-[[4-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95053124
4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021518
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one (CID 83273218) is 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one is CCC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is JKVCJIZASKBFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-18(27)24-11-13-25(14-12-24)20-21(28)26(15-16-7-4-3-5-8-16)19-17(23-20)9-6-10-22-19/h3-10H,2,11-15H2,1H3.
What are the key properties of 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 83273218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).