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

C18H22N4O5 — CID 71151060

IUPAC[1-[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(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C18H22N4O5/c1-26-13-3-2-12-15(20-13)22(14(23)10-19-12)9-8-18-6-4-17(5-7-18,11-27-18)21-16(24)25/h2-3,10,21H,4-9,11H2,1H3,(H,24,25)
InChIKeyFMKCZBMWOMWZNB-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.54
Rot. Bonds5

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

[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71151060) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is [1-[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-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71151060
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name[1-[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(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C18H22N4O5/c1-26-13-3-2-12-15(20-13)22(14(23)10-19-12)9-8-18-6-4-17(5-7-18,11-27-18)21-16(24)25/h2-3,10,21H,4-9,11H2,1H3,(H,24,25)
InChIKeyFMKCZBMWOMWZNB-UHFFFAOYSA-N
XLogP1.54
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[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-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71151060) is [1-[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-[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-[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(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1.
What is the InChIKey of [1-[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 FMKCZBMWOMWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-26-13-3-2-12-15(20-13)22(14(23)10-19-12)9-8-18-6-4-17(5-7-18,11-27-18)21-16(24)25/h2-3,10,21H,4-9,11H2,1H3,(H,24,25).
What are the key properties of [1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[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 374.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[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 71151060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).