3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C14H13N5O3 — CID 82269827

IUPAC3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O
InChIInChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21)
InChIKeyGYGPXOMUETVREL-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.81
Rot. Bonds4

About 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 82269827) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID82269827
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O
InChIInChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21)
InChIKeyGYGPXOMUETVREL-UHFFFAOYSA-N
XLogP0.81
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 82269827) is 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2cc(-c3cnccn3)[nH]n2c(=O)c1CCC(=O)O.
What is the InChIKey of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is GYGPXOMUETVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-8-9(2-3-13(20)21)14(22)19-12(17-8)6-10(18-19)11-7-15-4-5-16-11/h4-7,18H,2-3H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 299.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-7-oxo-2-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 82269827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).