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

C15H21N5O3S — CID 135731833

IUPAC1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N5O3S/c1-10-2-4-19(5-3-10)12(22)9-24-15-17-13-11(14(23)18-15)8-16-20(13)6-7-21/h8,10,21H,2-7,9H2,1H3,(H,17,18,23)
InChIKeyFAISPCLLMQZJPW-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.46
Rot. Bonds5

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

1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135731833) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135731833
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N5O3S/c1-10-2-4-19(5-3-10)12(22)9-24-15-17-13-11(14(23)18-15)8-16-20(13)6-7-21/h8,10,21H,2-7,9H2,1H3,(H,17,18,23)
InChIKeyFAISPCLLMQZJPW-UHFFFAOYSA-N
XLogP0.46
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135731833) is 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[nH]2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FAISPCLLMQZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-10-2-4-19(5-3-10)12(22)9-24-15-17-13-11(14(23)18-15)8-16-20(13)6-7-21/h8,10,21H,2-7,9H2,1H3,(H,17,18,23).
What are the key properties of 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 351.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135731833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).