3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid

C19H17FN4O3 — CID 69104360

IUPAC3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2F)ccc1=O
InChIInChI=1S/C19H17FN4O3/c1-10(2)24-9-11(7-8-14(24)25)15-16(12-5-3-4-6-13(12)20)23-18(21)17(22-15)19(26)27/h3-10H,1-2H3,(H2,21,23)(H,26,27)
InChIKeyXWWIXGHSSGGFEG-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.97
Rot. Bonds4

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

3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid (PubChem CID 69104360) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
PubChem CID69104360
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2F)ccc1=O
InChIInChI=1S/C19H17FN4O3/c1-10(2)24-9-11(7-8-14(24)25)15-16(12-5-3-4-6-13(12)20)23-18(21)17(22-15)19(26)27/h3-10H,1-2H3,(H2,21,23)(H,26,27)
InChIKeyXWWIXGHSSGGFEG-UHFFFAOYSA-N
XLogP2.97
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid (CID 69104360) is 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid is CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2F)ccc1=O.
What is the InChIKey of 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The InChIKey is XWWIXGHSSGGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-10(2)24-9-11(7-8-14(24)25)15-16(12-5-3-4-6-13(12)20)23-18(21)17(22-15)19(26)27/h3-10H,1-2H3,(H2,21,23)(H,26,27).
What are the key properties of 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 69104360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).