3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C23H28N6O — CID 166601889

IUPAC3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(CCc4ccc5c(c4)CCO5)CC3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-15-18(2)29(26-17)23-6-5-22(24-25-23)28-12-10-27(11-13-28)9-7-19-3-4-21-20(16-19)8-14-30-21/h3-6,15-16H,7-14H2,1-2H3
InChIKeySRHJAFMNSVBJOV-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.58
Rot. Bonds5

About 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 166601889) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID166601889
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(CCc4ccc5c(c4)CCO5)CC3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-15-18(2)29(26-17)23-6-5-22(24-25-23)28-12-10-27(11-13-28)9-7-19-3-4-21-20(16-19)8-14-30-21/h3-6,15-16H,7-14H2,1-2H3
InChIKeySRHJAFMNSVBJOV-UHFFFAOYSA-N
XLogP2.58
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 166601889) is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(CCc4ccc5c(c4)CCO5)CC3)nn2)n1.
What is the InChIKey of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is SRHJAFMNSVBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-15-18(2)29(26-17)23-6-5-22(24-25-23)28-12-10-27(11-13-28)9-7-19-3-4-21-20(16-19)8-14-30-21/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 404.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 166601889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).