1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one

C11H13N5O — CID 43088529

IUPAC1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
SMILESCn1ncc2c(N3CCC(=O)CC3)ncnc21
InChIInChI=1S/C11H13N5O/c1-15-10-9(6-14-15)11(13-7-12-10)16-4-2-8(17)3-5-16/h6-7H,2-5H2,1H3
InChIKeyCOCDJBVRWYLHPU-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.53
Rot. Bonds1

About 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one (PubChem CID 43088529) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
PubChem CID43088529
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
SMILESCn1ncc2c(N3CCC(=O)CC3)ncnc21
InChIInChI=1S/C11H13N5O/c1-15-10-9(6-14-15)11(13-7-12-10)16-4-2-8(17)3-5-16/h6-7H,2-5H2,1H3
InChIKeyCOCDJBVRWYLHPU-UHFFFAOYSA-N
XLogP0.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one (CID 43088529) is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one is Cn1ncc2c(N3CCC(=O)CC3)ncnc21.
What is the InChIKey of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one?
The InChIKey is COCDJBVRWYLHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15-10-9(6-14-15)11(13-7-12-10)16-4-2-8(17)3-5-16/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one?
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one has a molecular weight of 231.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 43088529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).