2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one

C18H21F2N3O2 — CID 127049825

IUPAC2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2
InChIKeyGDOFODGNLUCIHP-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.77
Rot. Bonds6

About 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one

2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (PubChem CID 127049825) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
PubChem CID127049825
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2
InChIKeyGDOFODGNLUCIHP-UHFFFAOYSA-N
XLogP2.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The IUPAC name of 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (CID 127049825) is 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The InChIKey is GDOFODGNLUCIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2.
What are the key properties of 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one has a molecular weight of 349.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is sourced from PubChem (CID 127049825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).