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

C21H19Cl2FN4O — CID 19245533

IUPAC4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3F)CC2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2FN4O/c22-16-7-5-15(6-8-16)14-28-21(29)20(23)19(13-25-28)27-11-9-26(10-12-27)18-4-2-1-3-17(18)24/h1-8,13H,9-12,14H2
InChIKeyWLIOXSXXBDHUBU-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.06
Rot. Bonds4

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

4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 19245533) has the molecular formula C21H19Cl2FN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one
PubChem CID19245533
Molecular FormulaC21H19Cl2FN4O
Molecular Weight433.31 g/mol
Exact Mass432.09
IUPAC Name4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3F)CC2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2FN4O/c22-16-7-5-15(6-8-16)14-28-21(29)20(23)19(13-25-28)27-11-9-26(10-12-27)18-4-2-1-3-17(18)24/h1-8,13H,9-12,14H2
InChIKeyWLIOXSXXBDHUBU-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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Related Compounds

4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245531
5-(4-benzhydrylpiperazin-1-yl)-4-chloro-2-[(4-chlorophenyl)methyl]pyridazin-3-one
CID 19245535
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
2-benzyl-4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]pyridazin-3-one
CID 133330810
2-benzyl-4-chloro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317765
methyl 2-[5-chloro-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate
CID 36519087
2-benzyl-4-chloro-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
CID 133431658
2-benzyl-4-chloro-5-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 133281312
4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
CID 25378017
2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306094
4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
CID 19245616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one (CID 19245533) is 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3ccccc3F)CC2)cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is WLIOXSXXBDHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN4O/c22-16-7-5-15(6-8-16)14-28-21(29)20(23)19(13-25-28)27-11-9-26(10-12-27)18-4-2-1-3-17(18)24/h1-8,13H,9-12,14H2.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]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-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 19245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).