2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one

C20H15N3O2 — CID 22723985

IUPAC2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(O)c1
InChIInChI=1S/C20H15N3O2/c24-16-9-4-8-15(13-16)23-19-17(10-5-11-21-19)22-18(20(23)25)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2
InChIKeyNUENXOMLKQVDOV-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.08
Rot. Bonds3

About 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one

2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 22723985) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID22723985
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(O)c1
InChIInChI=1S/C20H15N3O2/c24-16-9-4-8-15(13-16)23-19-17(10-5-11-21-19)22-18(20(23)25)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2
InChIKeyNUENXOMLKQVDOV-UHFFFAOYSA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one (CID 22723985) is 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(O)c1.
What is the InChIKey of 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is NUENXOMLKQVDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-16-9-4-8-15(13-16)23-19-17(10-5-11-21-19)22-18(20(23)25)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2.
What are the key properties of 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one?
2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 329.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22723985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).