2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one

C20H19FN2O4 — CID 7671720

IUPAC2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4/c1-25-17-10-14(11-18(26-2)20(17)27-3)16-8-9-19(24)23(22-16)12-13-4-6-15(21)7-5-13/h4-11H,12H2,1-3H3
InChIKeyPTRPRSIYQHYDGF-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.12
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one (PubChem CID 7671720) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one
PubChem CID7671720
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4/c1-25-17-10-14(11-18(26-2)20(17)27-3)16-8-9-19(24)23(22-16)12-13-4-6-15(21)7-5-13/h4-11H,12H2,1-3H3
InChIKeyPTRPRSIYQHYDGF-UHFFFAOYSA-N
XLogP3.12
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one (CID 7671720) is 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one is COc1cc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one?
The InChIKey is PTRPRSIYQHYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-25-17-10-14(11-18(26-2)20(17)27-3)16-8-9-19(24)23(22-16)12-13-4-6-15(21)7-5-13/h4-11H,12H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one has a molecular weight of 370.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).