4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C17H22N4O3 — CID 71151174

IUPAC4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCC34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C17H22N4O3/c1-23-13-3-2-12-15(20-13)21(14(22)10-19-12)9-8-17-6-4-16(18,5-7-17)11-24-17/h2-3,10H,4-9,11,18H2,1H3
InChIKeyXNFVYRAKABMLHR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.23
Rot. Bonds4

About 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 71151174) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID71151174
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCC34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C17H22N4O3/c1-23-13-3-2-12-15(20-13)21(14(22)10-19-12)9-8-17-6-4-16(18,5-7-17)11-24-17/h2-3,10H,4-9,11,18H2,1H3
InChIKeyXNFVYRAKABMLHR-UHFFFAOYSA-N
XLogP1.23
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 71151174) is 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CCC34CCC(N)(CC3)CO4)c2n1.
What is the InChIKey of 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is XNFVYRAKABMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-13-3-2-12-15(20-13)21(14(22)10-19-12)9-8-17-6-4-16(18,5-7-17)11-24-17/h2-3,10H,4-9,11,18H2,1H3.
What are the key properties of 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 71151174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).