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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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).