2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine

C19H24N6O — CID 56669827

IUPAC2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CCNCC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3
InChIKeyJKAOGJXEFQNYHE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine

2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine (PubChem CID 56669827) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine
PubChem CID56669827
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CCNCC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3
InChIKeyJKAOGJXEFQNYHE-UHFFFAOYSA-N
XLogP2.24
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]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 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine (CID 56669827) is 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine is CCOc1ccc(-n2nc3c(N4CCNCC4)nnc(C)c3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine?
The InChIKey is JKAOGJXEFQNYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine?
2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine has a molecular weight of 352.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3,4-dimethyl-7-piperazin-1-ylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 56669827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).