2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

C17H13N3O4 — CID 137290276

IUPAC2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cccnc21
InChIInChI=1S/C17H13N3O4/c21-12-6-3-11(4-7-12)5-8-14-17(24)20(10-15(22)23)16-13(19-14)2-1-9-18-16/h1-9,21H,10H2,(H,22,23)/b8-5+
InChIKeyXZZUZQSOZHXMTP-VMPITWQZSA-N
MW323.31 g/mol
LogP1.75
Rot. Bonds4

About 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (PubChem CID 137290276) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
PubChem CID137290276
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cccnc21
InChIInChI=1S/C17H13N3O4/c21-12-6-3-11(4-7-12)5-8-14-17(24)20(10-15(22)23)16-13(19-14)2-1-9-18-16/h1-9,21H,10H2,(H,22,23)/b8-5+
InChIKeyXZZUZQSOZHXMTP-VMPITWQZSA-N
XLogP1.75
TPSA105.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (CID 137290276) is 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The InChIKey is XZZUZQSOZHXMTP-VMPITWQZSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-12-6-3-11(4-7-12)5-8-14-17(24)20(10-15(22)23)16-13(19-14)2-1-9-18-16/h1-9,21H,10H2,(H,22,23)/b8-5+.
What are the key properties of 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid has a molecular weight of 323.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is sourced from PubChem (CID 137290276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).