3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one

C15H10FN3O2 — CID 135580950

IUPAC3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
SMILESO=c1[nH]c2cccnc2nc1/C=C(\O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-10-5-3-9(4-6-10)13(20)8-12-15(21)19-11-2-1-7-17-14(11)18-12/h1-8,20H,(H,19,21)/b13-8-
InChIKeyBEDMZKVHZQOZNO-JYRVWZFOSA-N
MW283.26 g/mol
LogP2.51
Rot. Bonds2

About 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one

3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 135580950) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID135580950
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
SMILESO=c1[nH]c2cccnc2nc1/C=C(\O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-10-5-3-9(4-6-10)13(20)8-12-15(21)19-11-2-1-7-17-14(11)18-12/h1-8,20H,(H,19,21)/b13-8-
InChIKeyBEDMZKVHZQOZNO-JYRVWZFOSA-N
XLogP2.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.51
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-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135508597
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
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-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949237
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639107
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220
2-(5-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 55144799
2-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 65100220
CID 59368109
CID 59368109

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one (CID 135580950) is 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one is O=c1[nH]c2cccnc2nc1/C=C(\O)c1ccc(F)cc1.
What is the InChIKey of 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is BEDMZKVHZQOZNO-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-10-5-3-9(4-6-10)13(20)8-12-15(21)19-11-2-1-7-17-14(11)18-12/h1-8,20H,(H,19,21)/b13-8-.
What are the key properties of 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one?
3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 283.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 135580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).