4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid

C17H17N5O3 — CID 121319937

IUPAC4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)CC1
InChIInChI=1S/C17H17N5O3/c23-15-8-14(11-3-6-21(7-4-11)17(24)25)20-16-13(10-19-22(15)16)12-2-1-5-18-9-12/h1-2,5,8-11,19H,3-4,6-7H2,(H,24,25)
InChIKeyXRPIGFKDWBUKQE-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.94
Rot. Bonds2

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

4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid (PubChem CID 121319937) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid
PubChem CID121319937
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)CC1
InChIInChI=1S/C17H17N5O3/c23-15-8-14(11-3-6-21(7-4-11)17(24)25)20-16-13(10-19-22(15)16)12-2-1-5-18-9-12/h1-2,5,8-11,19H,3-4,6-7H2,(H,24,25)
InChIKeyXRPIGFKDWBUKQE-UHFFFAOYSA-N
XLogP1.94
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid (CID 121319937) is 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)CC1.
What is the InChIKey of 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid?
The InChIKey is XRPIGFKDWBUKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15-8-14(11-3-6-21(7-4-11)17(24)25)20-16-13(10-19-22(15)16)12-2-1-5-18-9-12/h1-2,5,8-11,19H,3-4,6-7H2,(H,24,25).
What are the key properties of 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid?
4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).