[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone

C19H18ClFN6O — CID 121114387

IUPAC[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
SMILESCc1nccn1-c1ccc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)nn1
InChIInChI=1S/C19H18ClFN6O/c1-13-22-6-7-27(13)18-5-4-17(23-24-18)19(28)26-10-8-25(9-11-26)14-2-3-16(21)15(20)12-14/h2-7,12H,8-11H2,1H3
InChIKeyPRYOXBOGKQNHGX-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.73
Rot. Bonds3

About [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone

[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone (PubChem CID 121114387) has the molecular formula C19H18ClFN6O and a molecular weight of 400.85 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
PubChem CID121114387
Molecular FormulaC19H18ClFN6O
Molecular Weight400.85 g/mol
Exact Mass400.12
IUPAC Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
SMILESCc1nccn1-c1ccc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)nn1
InChIInChI=1S/C19H18ClFN6O/c1-13-22-6-7-27(13)18-5-4-17(23-24-18)19(28)26-10-8-25(9-11-26)14-2-3-16(21)15(20)12-14/h2-7,12H,8-11H2,1H3
InChIKeyPRYOXBOGKQNHGX-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 121114370
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121114369
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114236
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone (CID 121114387) is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone is Cc1nccn1-c1ccc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)nn1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The InChIKey is PRYOXBOGKQNHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6O/c1-13-22-6-7-27(13)18-5-4-17(23-24-18)19(28)26-10-8-25(9-11-26)14-2-3-16(21)15(20)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone has a molecular weight of 400.85 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 121114387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).