4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

C23H18FN3O3S — CID 10224932

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(Cc3ccccn3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)20-11-7-16(8-12-20)21-14-26-27(15-19-4-2-3-13-25-19)23(28)22(21)17-5-9-18(24)10-6-17/h2-14H,15H2,1H3
InChIKeyAQPYLLMKFQYDKV-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 10224932) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID10224932
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(Cc3ccccn3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)20-11-7-16(8-12-20)21-14-26-27(15-19-4-2-3-13-25-19)23(28)22(21)17-5-9-18(24)10-6-17/h2-14H,15H2,1H3
InChIKeyAQPYLLMKFQYDKV-UHFFFAOYSA-N
XLogP3.56
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 10224932) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccn3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is AQPYLLMKFQYDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-31(29,30)20-11-7-16(8-12-20)21-14-26-27(15-19-4-2-3-13-25-19)23(28)22(21)17-5-9-18(24)10-6-17/h2-14H,15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 435.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 10224932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).