5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one

C22H19F3N4O — CID 54589177

IUPAC5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one
SMILESO=c1c2cc(CN3CCC(F)(F)CC3)c3ccccn3c-2nn1-c1ccccc1F
InChIInChI=1S/C22H19F3N4O/c23-17-5-1-2-7-19(17)29-21(30)16-13-15(14-27-11-8-22(24,25)9-12-27)18-6-3-4-10-28(18)20(16)26-29/h1-7,10,13H,8-9,11-12,14H2
InChIKeySKYRZUJJIGDTOG-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.96
Rot. Bonds3

About 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one

5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one (PubChem CID 54589177) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one.

Molecular Properties

Compound Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one
PubChem CID54589177
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one
SMILESO=c1c2cc(CN3CCC(F)(F)CC3)c3ccccn3c-2nn1-c1ccccc1F
InChIInChI=1S/C22H19F3N4O/c23-17-5-1-2-7-19(17)29-21(30)16-13-15(14-27-11-8-22(24,25)9-12-27)18-6-3-4-10-28(18)20(16)26-29/h1-7,10,13H,8-9,11-12,14H2
InChIKeySKYRZUJJIGDTOG-UHFFFAOYSA-N
XLogP3.96
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one?
The IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one (CID 54589177) is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one.
What is the SMILES notation for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one?
The canonical SMILES for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one is O=c1c2cc(CN3CCC(F)(F)CC3)c3ccccn3c-2nn1-c1ccccc1F.
What is the InChIKey of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one?
The InChIKey is SKYRZUJJIGDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-17-5-1-2-7-19(17)29-21(30)16-13-15(14-27-11-8-22(24,25)9-12-27)18-6-3-4-10-28(18)20(16)26-29/h1-7,10,13H,8-9,11-12,14H2.
What are the key properties of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one?
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one has a molecular weight of 412.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one is sourced from PubChem (CID 54589177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).