2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid

C15H11N3O3 — CID 134154466

IUPAC2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccccc2)nc2cccnc21
InChIInChI=1S/C15H11N3O3/c19-12(20)9-18-14-11(7-4-8-16-14)17-13(15(18)21)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyXVNOEKZZZDTDQZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid

2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid (PubChem CID 134154466) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
PubChem CID134154466
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccccc2)nc2cccnc21
InChIInChI=1S/C15H11N3O3/c19-12(20)9-18-14-11(7-4-8-16-14)17-13(15(18)21)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyXVNOEKZZZDTDQZ-UHFFFAOYSA-N
XLogP1.54
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 134146352
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 157166412
2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 137290276
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 158140434
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 157216707
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
2-[2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 15099468
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
CID 56693755
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
2-[2-(4-nitroanilino)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 67993564

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid (CID 134154466) is 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid is O=C(O)Cn1c(=O)c(-c2ccccc2)nc2cccnc21.
What is the InChIKey of 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid?
The InChIKey is XVNOEKZZZDTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-12(20)9-18-14-11(7-4-8-16-14)17-13(15(18)21)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid?
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid has a molecular weight of 281.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid is sourced from PubChem (CID 134154466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).