2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C23H28N6O2 — CID 121113802

IUPAC2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(C)c(OC(C)C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c1
InChIInChI=1S/C23H28N6O2/c1-16-5-6-17(2)20(15-16)31-18(3)23(30)28-13-11-27(12-14-28)21-7-8-22(26-25-21)29-10-9-24-19(29)4/h5-10,15,18H,11-14H2,1-4H3
InChIKeyPEOBXARWASJBDS-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.70
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121113802) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID121113802
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(C)c(OC(C)C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c1
InChIInChI=1S/C23H28N6O2/c1-16-5-6-17(2)20(15-16)31-18(3)23(30)28-13-11-27(12-14-28)21-7-8-22(26-25-21)29-10-9-24-19(29)4/h5-10,15,18H,11-14H2,1-4H3
InChIKeyPEOBXARWASJBDS-UHFFFAOYSA-N
XLogP2.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one 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

(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
(2S)-2-[4-[(2S)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125154249
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121060531
3-[4-[(2R)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125151357
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121113802) is 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is Cc1ccc(C)c(OC(C)C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is PEOBXARWASJBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-5-6-17(2)20(15-16)31-18(3)23(30)28-13-11-27(12-14-28)21-7-8-22(26-25-21)29-10-9-24-19(29)4/h5-10,15,18H,11-14H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 420.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121113802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).