5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

C14H14N6O4 — CID 137018382

IUPAC5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C14H14N6O4/c21-10-5-9(7-1-3-15-4-2-7)20-12(17-10)8(6-16-20)13-18-11(14(22)23)19-24-13/h5-7,15H,1-4H2,(H,17,21)(H,22,23)
InChIKeyRDPTZPOQGDSOIE-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.24
Rot. Bonds3

About 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 137018382) has the molecular formula C14H14N6O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID137018382
Molecular FormulaC14H14N6O4
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C14H14N6O4/c21-10-5-9(7-1-3-15-4-2-7)20-12(17-10)8(6-16-20)13-18-11(14(22)23)19-24-13/h5-7,15H,1-4H2,(H,17,21)(H,22,23)
InChIKeyRDPTZPOQGDSOIE-UHFFFAOYSA-N
XLogP0.24
TPSA138.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 137018382) is 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is RDPTZPOQGDSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4/c21-10-5-9(7-1-3-15-4-2-7)20-12(17-10)8(6-16-20)13-18-11(14(22)23)19-24-13/h5-7,15H,1-4H2,(H,17,21)(H,22,23).
What are the key properties of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 330.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 137018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).