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

C17H17Cl2N5O — CID 56662937

IUPAC2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCOC1CN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4Cl)nc23)C1
InChIInChI=1S/C17H17Cl2N5O/c1-9-15-10(2)24(14-5-4-11(18)6-13(14)19)22-16(15)17(21-20-9)23-7-12(8-23)25-3/h4-6,12H,7-8H2,1-3H3
InChIKeyXZRGIOHIEFGMRJ-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.57
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 56662937) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID56662937
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCOC1CN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4Cl)nc23)C1
InChIInChI=1S/C17H17Cl2N5O/c1-9-15-10(2)24(14-5-4-11(18)6-13(14)19)22-16(15)17(21-20-9)23-7-12(8-23)25-3/h4-6,12H,7-8H2,1-3H3
InChIKeyXZRGIOHIEFGMRJ-UHFFFAOYSA-N
XLogP3.57
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 56662937) is 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is COC1CN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4Cl)nc23)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is XZRGIOHIEFGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-9-15-10(2)24(14-5-4-11(18)6-13(14)19)22-16(15)17(21-20-9)23-7-12(8-23)25-3/h4-6,12H,7-8H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 378.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 56662937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).