6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C12H15N5O2S — CID 135517184

IUPAC6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C12H15N5O2S/c18-9(17-4-2-1-3-5-17)7-20-12-14-10-8(6-13-16-10)11(19)15-12/h6H,1-5,7H2,(H2,13,14,15,16,19)
InChIKeyHWPMCTKZAUKPRI-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.75
Rot. Bonds3

About 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135517184) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135517184
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C12H15N5O2S/c18-9(17-4-2-1-3-5-17)7-20-12-14-10-8(6-13-16-10)11(19)15-12/h6H,1-5,7H2,(H2,13,14,15,16,19)
InChIKeyHWPMCTKZAUKPRI-UHFFFAOYSA-N
XLogP0.75
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135517184) is 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCCC1.
What is the InChIKey of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HWPMCTKZAUKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-9(17-4-2-1-3-5-17)7-20-12-14-10-8(6-13-16-10)11(19)15-12/h6H,1-5,7H2,(H2,13,14,15,16,19).
What are the key properties of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).