[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C18H22N4O6 — CID 71151026

IUPAC[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2ncc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C18H22N4O6/c1-27-13-3-2-11-15(20-13)22(14(24)8-19-11)9-12(23)18-6-4-17(5-7-18,10-28-18)21-16(25)26/h2-3,8,12,21,23H,4-7,9-10H2,1H3,(H,25,26)
InChIKeyIOWJBILJUZUZKU-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.51
Rot. Bonds5

About [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71151026) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71151026
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2ncc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C18H22N4O6/c1-27-13-3-2-11-15(20-13)22(14(24)8-19-11)9-12(23)18-6-4-17(5-7-18,10-28-18)21-16(25)26/h2-3,8,12,21,23H,4-7,9-10H2,1H3,(H,25,26)
InChIKeyIOWJBILJUZUZKU-UHFFFAOYSA-N
XLogP0.51
TPSA135.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71151026) is [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is COc1ccc2ncc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1.
What is the InChIKey of [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is IOWJBILJUZUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-27-13-3-2-11-15(20-13)22(14(24)8-19-11)9-12(23)18-6-4-17(5-7-18,10-28-18)21-16(25)26/h2-3,8,12,21,23H,4-7,9-10H2,1H3,(H,25,26).
What are the key properties of [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 390.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71151026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).