6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

C23H22FN3O — CID 10068070

IUPAC6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(F)cc4)c3c2C)cc1
InChIInChI=1S/C23H22FN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
InChIKeyAMQAPHUPJPGWCK-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.55
Rot. Bonds4

About 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10068070) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10068070
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(F)cc4)c3c2C)cc1
InChIInChI=1S/C23H22FN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
InChIKeyAMQAPHUPJPGWCK-UHFFFAOYSA-N
XLogP5.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10068070) is 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(F)cc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is AMQAPHUPJPGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3.
What are the key properties of 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 375.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10068070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).