2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone

C22H21FN4O — CID 42110641

IUPAC2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H21FN4O/c23-19-8-6-17(7-9-19)16-22(28)27-14-12-26(13-15-27)21-11-10-20(24-25-21)18-4-2-1-3-5-18/h1-11H,12-16H2
InChIKeyHNRNNKIAOKSVIH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.17
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 42110641) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID42110641
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H21FN4O/c23-19-8-6-17(7-9-19)16-22(28)27-14-12-26(13-15-27)21-11-10-20(24-25-21)18-4-2-1-3-5-18/h1-11H,12-16H2
InChIKeyHNRNNKIAOKSVIH-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 42110641) is 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is HNRNNKIAOKSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-8-6-17(7-9-19)16-22(28)27-14-12-26(13-15-27)21-11-10-20(24-25-21)18-4-2-1-3-5-18/h1-11H,12-16H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 376.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42110641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).