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

C11H13N5O2S — CID 135517186

IUPAC6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C11H13N5O2S/c17-8(16-3-1-2-4-16)6-19-11-13-9-7(5-12-15-9)10(18)14-11/h5H,1-4,6H2,(H2,12,13,14,15,18)
InChIKeyOTJYYVVGHBKIHI-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.36
Rot. Bonds3

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

6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135517186) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135517186
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C11H13N5O2S/c17-8(16-3-1-2-4-16)6-19-11-13-9-7(5-12-15-9)10(18)14-11/h5H,1-4,6H2,(H2,12,13,14,15,18)
InChIKeyOTJYYVVGHBKIHI-UHFFFAOYSA-N
XLogP0.36
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472838
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-(allylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472830
6-(isopentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472839
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135517184
6-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517185
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl-
CID 382390
N-tert-butyl-2-({4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
CID 135472824
N,N-diethyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472826

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135517186) is 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)N1CCCC1.
What is the InChIKey of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OTJYYVVGHBKIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-8(16-3-1-2-4-16)6-19-11-13-9-7(5-12-15-9)10(18)14-11/h5H,1-4,6H2,(H2,12,13,14,15,18).
What are the key properties of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 0.36, 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-pyrrolidin-1-ylethyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135517186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).