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

C19H16F2N4O3 — CID 69103314

IUPAC3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2cc(F)cc(F)c2)ccc1=O
InChIInChI=1S/C19H16F2N4O3/c1-9(2)25-8-10(3-4-14(25)26)15-16(11-5-12(20)7-13(21)6-11)24-18(22)17(23-15)19(27)28/h3-9H,1-2H3,(H2,22,24)(H,27,28)
InChIKeyDLQVWEJTOYMYAZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.11
Rot. Bonds4

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

3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid (PubChem CID 69103314) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
PubChem CID69103314
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2cc(F)cc(F)c2)ccc1=O
InChIInChI=1S/C19H16F2N4O3/c1-9(2)25-8-10(3-4-14(25)26)15-16(11-5-12(20)7-13(21)6-11)24-18(22)17(23-15)19(27)28/h3-9H,1-2H3,(H2,22,24)(H,27,28)
InChIKeyDLQVWEJTOYMYAZ-UHFFFAOYSA-N
XLogP3.11
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid (CID 69103314) is 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid is CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2cc(F)cc(F)c2)ccc1=O.
What is the InChIKey of 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
The InChIKey is DLQVWEJTOYMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-9(2)25-8-10(3-4-14(25)26)15-16(11-5-12(20)7-13(21)6-11)24-18(22)17(23-15)19(27)28/h3-9H,1-2H3,(H2,22,24)(H,27,28).
What are the key properties of 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid?
3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid has a molecular weight of 386.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-difluorophenyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 69103314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).