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

C22H21FN4O2 — CID 42110667

IUPAC1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)16-29-19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyVTRLCPABHXLFGW-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.01
Rot. Bonds5

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

1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 42110667) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID42110667
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)16-29-19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyVTRLCPABHXLFGW-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (CID 42110667) is 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is VTRLCPABHXLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(28)16-29-19-4-2-1-3-5-19/h1-11H,12-16H2.
What are the key properties of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 392.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 42110667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).