6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one

C22H19ClF2N4O2 — CID 42161951

IUPAC6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H19ClF2N4O2/c23-18-13-17(4-5-19(18)25)27-8-10-28(11-9-27)22(31)20-6-7-21(30)29(26-20)14-15-2-1-3-16(24)12-15/h1-7,12-13H,8-11,14H2
InChIKeyIZVUCIKFXVJMHH-UHFFFAOYSA-N
MW444.87 g/mol
LogP3.19
Rot. Bonds4

About 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one

6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 42161951) has the molecular formula C22H19ClF2N4O2 and a molecular weight of 444.87 g/mol. Its IUPAC name is 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID42161951
Molecular FormulaC22H19ClF2N4O2
Molecular Weight444.87 g/mol
Exact Mass444.12
IUPAC Name6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H19ClF2N4O2/c23-18-13-17(4-5-19(18)25)27-8-10-28(11-9-27)22(31)20-6-7-21(30)29(26-20)14-15-2-1-3-16(24)12-15/h1-7,12-13H,8-11,14H2
InChIKeyIZVUCIKFXVJMHH-UHFFFAOYSA-N
XLogP3.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one with MolForge

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Related Compounds

6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 122279363
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 121107255
6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(6-phenylmethoxypyrimidin-4-yl)methanone
CID 121167892
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
2-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 121050754
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 42161937

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 42161951) is 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one is O=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is IZVUCIKFXVJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2/c23-18-13-17(4-5-19(18)25)27-8-10-28(11-9-27)22(31)20-6-7-21(30)29(26-20)14-15-2-1-3-16(24)12-15/h1-7,12-13H,8-11,14H2.
What are the key properties of 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 444.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 42161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).