1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C13H18N6O — CID 47292303

IUPAC1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C13H18N6O/c1-9-15-12-11(8-14-17(12)3)13(16-9)19-6-4-18(5-7-19)10(2)20/h8H,4-7H2,1-3H3
InChIKeyVBQCGURUDLXPLG-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.34
Rot. Bonds1

About 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 47292303) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID47292303
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C13H18N6O/c1-9-15-12-11(8-14-17(12)3)13(16-9)19-6-4-18(5-7-19)10(2)20/h8H,4-7H2,1-3H3
InChIKeyVBQCGURUDLXPLG-UHFFFAOYSA-N
XLogP0.34
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 47292303) is 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1.
What is the InChIKey of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is VBQCGURUDLXPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-15-12-11(8-14-17(12)3)13(16-9)19-6-4-18(5-7-19)10(2)20/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 274.33 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47292303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).