(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C22H21FN4O — CID 42110649

IUPAC(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1
InChIInChI=1S/C22H21FN4O/c1-16-6-8-17(9-7-16)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3
InChIKeyWYDAREBWIPEWDF-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds3

About (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42110649) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42110649
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1
InChIInChI=1S/C22H21FN4O/c1-16-6-8-17(9-7-16)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3
InChIKeyWYDAREBWIPEWDF-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42110649) is (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1.
What is the InChIKey of (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is WYDAREBWIPEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-16-6-8-17(9-7-16)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).