3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C19H23ClFN5O — CID 122350889

IUPAC3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCNc1ccc(N2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)nn1
InChIInChI=1S/C19H23ClFN5O/c1-2-22-17-6-7-18(24-23-17)25-9-11-26(12-10-25)19(27)8-4-14-3-5-16(21)15(20)13-14/h3,5-7,13H,2,4,8-12H2,1H3,(H,22,23)
InChIKeyVNNLJMYODLGFJB-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.98
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 122350889) has the molecular formula C19H23ClFN5O and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID122350889
Molecular FormulaC19H23ClFN5O
Molecular Weight391.88 g/mol
Exact Mass391.16
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCNc1ccc(N2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)nn1
InChIInChI=1S/C19H23ClFN5O/c1-2-22-17-6-7-18(24-23-17)25-9-11-26(12-10-25)19(27)8-4-14-3-5-16(21)15(20)13-14/h3,5-7,13H,2,4,8-12H2,1H3,(H,22,23)
InChIKeyVNNLJMYODLGFJB-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122350887
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122340900
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350588
3-(3-chloro-4-fluorophenyl)-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122343902
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122347171
[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122351435
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122332655
2-(4-chlorophenoxy)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 122350617

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 122350889) is 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CCNc1ccc(N2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)nn1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is VNNLJMYODLGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN5O/c1-2-22-17-6-7-18(24-23-17)25-9-11-26(12-10-25)19(27)8-4-14-3-5-16(21)15(20)13-14/h3,5-7,13H,2,4,8-12H2,1H3,(H,22,23).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 391.88 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122350889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).