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

C16H21N5O2 — CID 87050114

IUPAC4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1
InChIInChI=1S/C16H21N5O2/c1-3-13(22)19-8-10-20(11-9-19)15-16(23)21(4-2)14-12(18-15)6-5-7-17-14/h5-7H,3-4,8-11H2,1-2H3
InChIKeyRGBHGEWUOPPWMK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.87
Rot. Bonds3

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

4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 87050114) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID87050114
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1
InChIInChI=1S/C16H21N5O2/c1-3-13(22)19-8-10-20(11-9-19)15-16(23)21(4-2)14-12(18-15)6-5-7-17-14/h5-7H,3-4,8-11H2,1-2H3
InChIKeyRGBHGEWUOPPWMK-UHFFFAOYSA-N
XLogP0.87
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 95053127
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021494
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
CID 87050144
N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324894
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one (CID 87050114) is 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one is CCC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1.
What is the InChIKey of 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is RGBHGEWUOPPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-13(22)19-8-10-20(11-9-19)15-16(23)21(4-2)14-12(18-15)6-5-7-17-14/h5-7H,3-4,8-11H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one?
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 315.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 87050114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).