2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one

C24H19FN2O2 — CID 10221746

IUPAC2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cnn(Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-29-21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3
InChIKeySCOXNTAVJATOPI-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.77
Rot. Bonds5

About 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one

2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 10221746) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
PubChem CID10221746
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cnn(Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-29-21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3
InChIKeySCOXNTAVJATOPI-UHFFFAOYSA-N
XLogP4.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-benzyl-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonyl chloride
CID 10297916
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
CID 19594999
2-benzyl-4-(3-methoxy-2-pyridinyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 141008698
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one
CID 10206370
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
[4-[1-benzyl-5-(3-chloro-4-fluorophenyl)-6-oxopyridazin-4-yl]phenyl]methanesulfinate
CID 174375769
[4-[5-(4-fluorophenyl)-6-oxo-1-(quinolin-2-ylmethyl)pyridazin-4-yl]phenyl]methanesulfinic acid
CID 174375154
5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 18369387
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
CID 56927430

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one (CID 10221746) is 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cnn(Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is SCOXNTAVJATOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-29-21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3.
What are the key properties of 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one?
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 386.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 10221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).