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

C18H21N5O — CID 56676649

IUPAC7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CCC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3
InChIKeySZALVIJBUOXUFB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds4

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

7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 56676649) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID56676649
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(N4CCC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3
InChIKeySZALVIJBUOXUFB-UHFFFAOYSA-N
XLogP3.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 16026224
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-(4-methoxy-phenyl)-amine
CID 10069697
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-p-tolyl-amine
CID 10249570
6-(4-ethoxyphenyl)-N,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 10380703
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-phenyl-amine
CID 10429369
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-dimethyl-amine
CID 10448940
N-(4-fluorobenzyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407114
N-(1-(6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl)pyrrolidin-3-yl)acetamide
CID 44407120
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(2-methylbutyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407121
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(4-methylpentan-2-yl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407141
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((6-methylpyridin-2-yl)methyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407158
N-(3-fluorobenzyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407159

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 56676649) is 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1ccc(-n2nc3c(N4CCC4)nnc(C)c3c2C)cc1.
What is the InChIKey of 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is SZALVIJBUOXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 323.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 56676649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).