5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C20H33N5O — CID 136633853

IUPAC5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCc1nc2c(CCCCCCN3CCCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C20H33N5O/c1-2-3-12-17-21-18-16(23-24-19(18)20(26)22-17)11-7-4-5-8-13-25-14-9-6-10-15-25/h2-15H2,1H3,(H,23,24)(H,21,22,26)
InChIKeyQPGLPPLQZCLULD-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.58
Rot. Bonds10

About 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 136633853) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID136633853
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCc1nc2c(CCCCCCN3CCCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C20H33N5O/c1-2-3-12-17-21-18-16(23-24-19(18)20(26)22-17)11-7-4-5-8-13-25-14-9-6-10-15-25/h2-15H2,1H3,(H,23,24)(H,21,22,26)
InChIKeyQPGLPPLQZCLULD-UHFFFAOYSA-N
XLogP3.58
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-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 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 136633853) is 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCCCc1nc2c(CCCCCCN3CCCCC3)[nH]nc2c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is QPGLPPLQZCLULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-3-12-17-21-18-16(23-24-19(18)20(26)22-17)11-7-4-5-8-13-25-14-9-6-10-15-25/h2-15H2,1H3,(H,23,24)(H,21,22,26).
What are the key properties of 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 359.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 136633853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).