4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C21H19Cl2FN4O — CID 19245544

IUPAC4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C21H19Cl2FN4O/c22-16-2-1-3-18(12-16)26-8-10-27(11-9-26)19-13-25-28(21(29)20(19)23)14-15-4-6-17(24)7-5-15/h1-7,12-13H,8-11,14H2
InChIKeyZOBNJMFOHLAGSQ-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one

4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 19245544) has the molecular formula C21H19Cl2FN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID19245544
Molecular FormulaC21H19Cl2FN4O
Molecular Weight433.31 g/mol
Exact Mass432.09
IUPAC Name4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C21H19Cl2FN4O/c22-16-2-1-3-18(12-16)26-8-10-27(11-9-26)19-13-25-28(21(29)20(19)23)14-15-4-6-17(24)7-5-15/h1-7,12-13H,8-11,14H2
InChIKeyZOBNJMFOHLAGSQ-UHFFFAOYSA-N
XLogP4.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 19245544) is 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(F)cc1.
What is the InChIKey of 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is ZOBNJMFOHLAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN4O/c22-16-2-1-3-18(12-16)26-8-10-27(11-9-26)19-13-25-28(21(29)20(19)23)14-15-4-6-17(24)7-5-15/h1-7,12-13H,8-11,14H2.
What are the key properties of 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 433.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 19245544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).