2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

C19H23N5O2 — CID 56669824

IUPAC2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyYOOPYOPIAKCHQH-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 56669824) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID56669824
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyYOOPYOPIAKCHQH-UHFFFAOYSA-N
XLogP2.67
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 56669824) is 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is YOOPYOPIAKCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 353.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 56669824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).