3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid

C17H13FN4O3 — CID 69104126

IUPAC3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H13FN4O3/c1-22-8-10(4-7-12(22)23)14-13(9-2-5-11(18)6-3-9)21-16(19)15(20-14)17(24)25/h2-8H,1H3,(H2,19,21)(H,24,25)
InChIKeyLIAKMFPMFVPHPA-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid

3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid (PubChem CID 69104126) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid
PubChem CID69104126
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H13FN4O3/c1-22-8-10(4-7-12(22)23)14-13(9-2-5-11(18)6-3-9)21-16(19)15(20-14)17(24)25/h2-8H,1H3,(H2,19,21)(H,24,25)
InChIKeyLIAKMFPMFVPHPA-UHFFFAOYSA-N
XLogP1.93
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid (CID 69104126) is 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid is Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid?
The InChIKey is LIAKMFPMFVPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-22-8-10(4-7-12(22)23)14-13(9-2-5-11(18)6-3-9)21-16(19)15(20-14)17(24)25/h2-8H,1H3,(H2,19,21)(H,24,25).
What are the key properties of 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid?
3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid has a molecular weight of 340.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 69104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).