3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one

C16H13N3O2 — CID 135508597

IUPAC3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc(/C(O)=C/c2nc3ncccc3[nH]c2=O)cc1
InChIInChI=1S/C16H13N3O2/c1-10-4-6-11(7-5-10)14(20)9-13-16(21)19-12-3-2-8-17-15(12)18-13/h2-9,20H,1H3,(H,19,21)/b14-9-
InChIKeyKAZAMGXIEWUMTN-ZROIWOOFSA-N
MW279.30 g/mol
LogP2.68
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one

3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 135508597) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID135508597
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc(/C(O)=C/c2nc3ncccc3[nH]c2=O)cc1
InChIInChI=1S/C16H13N3O2/c1-10-4-6-11(7-5-10)14(20)9-13-16(21)19-12-3-2-8-17-15(12)18-13/h2-9,20H,1H3,(H,19,21)/b14-9-
InChIKeyKAZAMGXIEWUMTN-ZROIWOOFSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135580950
6-[2-hydroxy-2-(4-methylphenyl)ethenyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
CID 136882696
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
CID 172837895
3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
CID 135637753
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
CID 138857529
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one (CID 135508597) is 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one is Cc1ccc(/C(O)=C/c2nc3ncccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is KAZAMGXIEWUMTN-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-4-6-11(7-5-10)14(20)9-13-16(21)19-12-3-2-8-17-15(12)18-13/h2-9,20H,1H3,(H,19,21)/b14-9-.
What are the key properties of 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 279.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 135508597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).