[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H19F3N6O — CID 121113768

IUPAC[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C20H19F3N6O/c1-14-24-7-8-29(14)18-6-5-17(25-26-18)27-9-11-28(12-10-27)19(30)15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3
InChIKeyQKJWDDICIVIPRT-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.95
Rot. Bonds3

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

[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 121113768) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID121113768
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C20H19F3N6O/c1-14-24-7-8-29(14)18-6-5-17(25-26-18)27-9-11-28(12-10-27)19(30)15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3
InChIKeyQKJWDDICIVIPRT-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
5-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053080
(3-methylphenyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 133335211
3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121113735

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 121113768) is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1nccn1-c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is QKJWDDICIVIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-14-24-7-8-29(14)18-6-5-17(25-26-18)27-9-11-28(12-10-27)19(30)15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 416.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121113768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).