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

C24H25N3O2 — CID 10452807

IUPAC6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(OC)cc4)c3c2C)cc1
InChIInChI=1S/C24H25N3O2/c1-6-29-21-13-9-19(10-14-21)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-7-11-20(28-5)12-8-18/h7-14H,6H2,1-5H3
InChIKeyMAVSIHLGKQXFQR-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.42
Rot. Bonds5

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

6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10452807) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10452807
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(OC)cc4)c3c2C)cc1
InChIInChI=1S/C24H25N3O2/c1-6-29-21-13-9-19(10-14-21)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-7-11-20(28-5)12-8-18/h7-14H,6H2,1-5H3
InChIKeyMAVSIHLGKQXFQR-UHFFFAOYSA-N
XLogP5.42
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10452807) is 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(OC)cc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is MAVSIHLGKQXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-6-29-21-13-9-19(10-14-21)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-7-11-20(28-5)12-8-18/h7-14H,6H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 387.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10452807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).