4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C21H19FN4O2 — CID 3781100

IUPAC4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27)
InChIKeyPZLLMDJZXGYYMI-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.54
Rot. Bonds3

About 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 3781100) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID3781100
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27)
InChIKeyPZLLMDJZXGYYMI-UHFFFAOYSA-N
XLogP2.54
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 3781100) is 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=C(c1ccc(F)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is PZLLMDJZXGYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27).
What are the key properties of 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 378.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 3781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).