2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

C22H22FN3O — CID 7658874

IUPAC2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C22H22FN3O/c23-20-7-3-2-6-18(20)16-26-22(27)13-12-21(24-26)17-8-10-19(11-9-17)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-16H2
InChIKeyNBNCRXSMWDMCNE-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one (PubChem CID 7658874) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
PubChem CID7658874
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C22H22FN3O/c23-20-7-3-2-6-18(20)16-26-22(27)13-12-21(24-26)17-8-10-19(11-9-17)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-16H2
InChIKeyNBNCRXSMWDMCNE-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7663425
2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 41376665
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]benzoic acid
CID 91259873
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one (CID 7658874) is 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one is O=c1ccc(-c2ccc(N3CCCCC3)cc2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
The InChIKey is NBNCRXSMWDMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-7-3-2-6-18(20)16-26-22(27)13-12-21(24-26)17-8-10-19(11-9-17)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-16H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one?
2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one has a molecular weight of 363.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 7658874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).