2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one

C22H22N4O — CID 71260643

IUPAC2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one
SMILESO=c1c2cc(CN3CCCCC3)c3ccccn3c-2nn1-c1ccccc1
InChIInChI=1S/C22H22N4O/c27-22-19-15-17(16-24-12-6-2-7-13-24)20-11-5-8-14-25(20)21(19)23-26(22)18-9-3-1-4-10-18/h1,3-5,8-11,14-15H,2,6-7,12-13,16H2
InChIKeyJFKWTLPCCRDBJS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.58
Rot. Bonds3

About 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one

2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one (PubChem CID 71260643) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one.

Molecular Properties

Compound Name2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one
PubChem CID71260643
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one
SMILESO=c1c2cc(CN3CCCCC3)c3ccccn3c-2nn1-c1ccccc1
InChIInChI=1S/C22H22N4O/c27-22-19-15-17(16-24-12-6-2-7-13-24)20-11-5-8-14-25(20)21(19)23-26(22)18-9-3-1-4-10-18/h1,3-5,8-11,14-15H,2,6-7,12-13,16H2
InChIKeyJFKWTLPCCRDBJS-UHFFFAOYSA-N
XLogP3.58
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one?
The IUPAC name of 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one (CID 71260643) is 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one.
What is the SMILES notation for 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one?
The canonical SMILES for 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one is O=c1c2cc(CN3CCCCC3)c3ccccn3c-2nn1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one?
The InChIKey is JFKWTLPCCRDBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22-19-15-17(16-24-12-6-2-7-13-24)20-11-5-8-14-25(20)21(19)23-26(22)18-9-3-1-4-10-18/h1,3-5,8-11,14-15H,2,6-7,12-13,16H2.
What are the key properties of 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one?
2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one has a molecular weight of 358.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one is sourced from PubChem (CID 71260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).