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

C17H20N6O5 — CID 137026058

IUPAC4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESCOCCc1noc(-c2cnn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C17H20N6O5/c1-27-7-4-13-19-16(28-21-13)11-9-18-23-12(8-14(24)20-15(11)23)10-2-5-22(6-3-10)17(25)26/h8-10H,2-7H2,1H3,(H,20,24)(H,25,26)
InChIKeyFCFUJVQWENFIHR-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.12
Rot. Bonds5

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

4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (PubChem CID 137026058) has the molecular formula C17H20N6O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
PubChem CID137026058
Molecular FormulaC17H20N6O5
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESCOCCc1noc(-c2cnn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C17H20N6O5/c1-27-7-4-13-19-16(28-21-13)11-9-18-23-12(8-14(24)20-15(11)23)10-2-5-22(6-3-10)17(25)26/h8-10H,2-7H2,1H3,(H,20,24)(H,25,26)
InChIKeyFCFUJVQWENFIHR-UHFFFAOYSA-N
XLogP1.12
TPSA138.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (CID 137026058) is 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is COCCc1noc(-c2cnn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The InChIKey is FCFUJVQWENFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O5/c1-27-7-4-13-19-16(28-21-13)11-9-18-23-12(8-14(24)20-15(11)23)10-2-5-22(6-3-10)17(25)26/h8-10H,2-7H2,1H3,(H,20,24)(H,25,26).
What are the key properties of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid has a molecular weight of 388.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137026058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).