6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C13H17N5O2S — CID 135517185

IUPAC6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N5O2S/c1-8-2-4-18(5-3-8)10(19)7-21-13-15-11-9(6-14-17-11)12(20)16-13/h6,8H,2-5,7H2,1H3,(H2,14,15,16,17,20)
InChIKeyFHKSCSVONFGGPH-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.00
Rot. Bonds3

About 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135517185) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135517185
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N5O2S/c1-8-2-4-18(5-3-8)10(19)7-21-13-15-11-9(6-14-17-11)12(20)16-13/h6,8H,2-5,7H2,1H3,(H2,14,15,16,17,20)
InChIKeyFHKSCSVONFGGPH-UHFFFAOYSA-N
XLogP1.00
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]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-(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
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124
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
6-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517186
6-(butylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517173
6-(isopropylthio)-1,2,5,7-tetraaza-1,5-dihydro-4H-inden-4-one
CID 135541106
2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide
CID 135472841

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135517185) is 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC1CCN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FHKSCSVONFGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8-2-4-18(5-3-8)10(19)7-21-13-15-11-9(6-14-17-11)12(20)16-13/h6,8H,2-5,7H2,1H3,(H2,14,15,16,17,20).
What are the key properties of 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 307.38 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135517185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).