1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one

C16H22N6O — CID 71225858

IUPAC1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H22N6O/c23-14-5-4-8-21(14)15-13-11-19-22(16(13)18-12-17-15)10-9-20-6-2-1-3-7-20/h11-12H,1-10H2
InChIKeyYJIJUGVOWVNNNQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.44
Rot. Bonds4

About 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one

1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 71225858) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID71225858
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H22N6O/c23-14-5-4-8-21(14)15-13-11-19-22(16(13)18-12-17-15)10-9-20-6-2-1-3-7-20/h11-12H,1-10H2
InChIKeyYJIJUGVOWVNNNQ-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one (CID 71225858) is 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one is O=C1CCCN1c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is YJIJUGVOWVNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c23-14-5-4-8-21(14)15-13-11-19-22(16(13)18-12-17-15)10-9-20-6-2-1-3-7-20/h11-12H,1-10H2.
What are the key properties of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one?
1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 71225858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).