2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid

C13H10N4O3 — CID 82271580

IUPAC2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1
InChIInChI=1S/C13H10N4O3/c18-12-4-9(5-13(19)20)15-11-6-10(16-17(11)12)8-2-1-3-14-7-8/h1-4,6-7,16H,5H2,(H,19,20)
InChIKeyNVHVAMPIMHDKRI-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.71
Rot. Bonds3

About 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid

2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (PubChem CID 82271580) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
PubChem CID82271580
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1
InChIInChI=1S/C13H10N4O3/c18-12-4-9(5-13(19)20)15-11-6-10(16-17(11)12)8-2-1-3-14-7-8/h1-4,6-7,16H,5H2,(H,19,20)
InChIKeyNVHVAMPIMHDKRI-UHFFFAOYSA-N
XLogP0.71
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (CID 82271580) is 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is O=C(O)Cc1cc(=O)n2[nH]c(-c3cccnc3)cc2n1.
What is the InChIKey of 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The InChIKey is NVHVAMPIMHDKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12-4-9(5-13(19)20)15-11-6-10(16-17(11)12)8-2-1-3-14-7-8/h1-4,6-7,16H,5H2,(H,19,20).
What are the key properties of 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 82271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).