3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one

C13H16N4O — CID 82385671

IUPAC3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one
SMILESCc1nn(C)c2c(C3CNCCC3=O)cncc12
InChIInChI=1S/C13H16N4O/c1-8-9-5-15-7-11(13(9)17(2)16-8)10-6-14-4-3-12(10)18/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyPCGBVECSMLKCGJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.92
Rot. Bonds1

About 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one

3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one (PubChem CID 82385671) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one
PubChem CID82385671
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one
SMILESCc1nn(C)c2c(C3CNCCC3=O)cncc12
InChIInChI=1S/C13H16N4O/c1-8-9-5-15-7-11(13(9)17(2)16-8)10-6-14-4-3-12(10)18/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyPCGBVECSMLKCGJ-UHFFFAOYSA-N
XLogP0.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one?
The IUPAC name of 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one (CID 82385671) is 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one is Cc1nn(C)c2c(C3CNCCC3=O)cncc12.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one?
The InChIKey is PCGBVECSMLKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-9-5-15-7-11(13(9)17(2)16-8)10-6-14-4-3-12(10)18/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one?
3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one has a molecular weight of 244.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one is sourced from PubChem (CID 82385671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).