7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H8FN5O2 — CID 142460308

IUPAC7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cc(-c2cncc(F)c2)nc2c(C(=O)O)cnn12
InChIInChI=1S/C12H8FN5O2/c13-7-1-6(3-15-4-7)9-2-10(14)18-11(17-9)8(5-16-18)12(19)20/h1-5H,14H2,(H,19,20)
InChIKeyCZCRTPZHLIOAJX-UHFFFAOYSA-N
MW273.23 g/mol
LogP1.21
Rot. Bonds2

About 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 142460308) has the molecular formula C12H8FN5O2 and a molecular weight of 273.23 g/mol. Its IUPAC name is 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID142460308
Molecular FormulaC12H8FN5O2
Molecular Weight273.23 g/mol
Exact Mass273.07
IUPAC Name7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cc(-c2cncc(F)c2)nc2c(C(=O)O)cnn12
InChIInChI=1S/C12H8FN5O2/c13-7-1-6(3-15-4-7)9-2-10(14)18-11(17-9)8(5-16-18)12(19)20/h1-5H,14H2,(H,19,20)
InChIKeyCZCRTPZHLIOAJX-UHFFFAOYSA-N
XLogP1.21
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 142460308) is 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1cc(-c2cncc(F)c2)nc2c(C(=O)O)cnn12.
What is the InChIKey of 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is CZCRTPZHLIOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O2/c13-7-1-6(3-15-4-7)9-2-10(14)18-11(17-9)8(5-16-18)12(19)20/h1-5H,14H2,(H,19,20).
What are the key properties of 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 273.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 142460308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).