6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C18H20FN3O — CID 10267583

IUPAC6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(F)c1
InChIInChI=1S/C18H20FN3O/c1-6-23-14-7-8-16(15(19)9-14)22-12(4)17-10(2)20-21-11(3)18(17)13(22)5/h7-9H,6H2,1-5H3
InChIKeyJTMLRYNSOZRKQF-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.19
Rot. Bonds3

About 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 10267583) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID10267583
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(F)c1
InChIInChI=1S/C18H20FN3O/c1-6-23-14-7-8-16(15(19)9-14)22-12(4)17-10(2)20-21-11(3)18(17)13(22)5/h7-9H,6H2,1-5H3
InChIKeyJTMLRYNSOZRKQF-UHFFFAOYSA-N
XLogP4.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[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

Related Compounds

6-(4-ethoxyphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 715493
7-chloro-2-(4-ethoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 848991
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389
1-Cyclopropyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9996195
6-(4-Ethoxy-phenyl)-1-(2-methoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10000286
1-(4-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10000554
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-pyrrolo[3,4-d]pyridazine
CID 10022126
1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10046621
6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10065679
6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10068070
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-(4-methoxy-phenyl)-amine
CID 10069697
1-Cyclopentyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10089184

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 10267583) is 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(F)c1.
What is the InChIKey of 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is JTMLRYNSOZRKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-6-23-14-7-8-16(15(19)9-14)22-12(4)17-10(2)20-21-11(3)18(17)13(22)5/h7-9H,6H2,1-5H3.
What are the key properties of 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 313.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-fluorophenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).