6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid

C17H12N6O2 — CID 11638527

IUPAC6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESNc1nn2cc(-c3cccc(C(=O)O)n3)cnc2c1-c1ccccn1
InChIInChI=1S/C17H12N6O2/c18-15-14(12-4-1-2-7-19-12)16-20-8-10(9-23(16)22-15)11-5-3-6-13(21-11)17(24)25/h1-9H,(H2,18,22)(H,24,25)
InChIKeyHSQMJAMRBZACEV-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.13
Rot. Bonds3

About 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid

6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid (PubChem CID 11638527) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
PubChem CID11638527
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESNc1nn2cc(-c3cccc(C(=O)O)n3)cnc2c1-c1ccccn1
InChIInChI=1S/C17H12N6O2/c18-15-14(12-4-1-2-7-19-12)16-20-8-10(9-23(16)22-15)11-5-3-6-13(21-11)17(24)25/h1-9H,(H2,18,22)(H,24,25)
InChIKeyHSQMJAMRBZACEV-UHFFFAOYSA-N
XLogP2.13
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid (CID 11638527) is 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid is Nc1nn2cc(-c3cccc(C(=O)O)n3)cnc2c1-c1ccccn1.
What is the InChIKey of 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The InChIKey is HSQMJAMRBZACEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c18-15-14(12-4-1-2-7-19-12)16-20-8-10(9-23(16)22-15)11-5-3-6-13(21-11)17(24)25/h1-9H,(H2,18,22)(H,24,25).
What are the key properties of 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 11638527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).