2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one

C17H19FN4O3 — CID 8556695

IUPAC2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H19FN4O3/c1-20-7-9-21(10-8-20)17(24)16-14(25-2)11-15(23)22(19-16)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWCOOZZSSKUWMMQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.77
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one

2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 8556695) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID8556695
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H19FN4O3/c1-20-7-9-21(10-8-20)17(24)16-14(25-2)11-15(23)22(19-16)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWCOOZZSSKUWMMQ-UHFFFAOYSA-N
XLogP0.77
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one (CID 8556695) is 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is WCOOZZSSKUWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-20-7-9-21(10-8-20)17(24)16-14(25-2)11-15(23)22(19-16)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one?
2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 346.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 8556695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).