2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C15H24N4O — CID 135869414

IUPAC2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCCCCCCCCn1cc2c(=O)[nH]cnc2n1
InChIInChI=1S/C15H24N4O/c1-2-3-4-5-6-7-8-9-10-19-11-13-14(18-19)16-12-17-15(13)20/h11-12H,2-10H2,1H3,(H,16,17,18,20)
InChIKeyKNLQFHKJPCGNTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.26
Rot. Bonds9

About 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135869414) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135869414
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCCCCCCCCn1cc2c(=O)[nH]cnc2n1
InChIInChI=1S/C15H24N4O/c1-2-3-4-5-6-7-8-9-10-19-11-13-14(18-19)16-12-17-15(13)20/h11-12H,2-10H2,1H3,(H,16,17,18,20)
InChIKeyKNLQFHKJPCGNTO-UHFFFAOYSA-N
XLogP3.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 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 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135869414) is 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is CCCCCCCCCCn1cc2c(=O)[nH]cnc2n1.
What is the InChIKey of 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KNLQFHKJPCGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-4-5-6-7-8-9-10-19-11-13-14(18-19)16-12-17-15(13)20/h11-12H,2-10H2,1H3,(H,16,17,18,20).
What are the key properties of 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135869414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).