6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

C24H25N3O — CID 10022126

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)cc1
InChIInChI=1S/C24H25N3O/c1-6-28-21-13-11-20(12-14-21)27-17(4)22-16(3)25-26-24(23(22)18(27)5)19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3
InChIKeyZGHBPLCFZKJLOJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.72
Rot. Bonds4

About 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (PubChem CID 10022126) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
PubChem CID10022126
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)cc1
InChIInChI=1S/C24H25N3O/c1-6-28-21-13-11-20(12-14-21)27-17(4)22-16(3)25-26-24(23(22)18(27)5)19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3
InChIKeyZGHBPLCFZKJLOJ-UHFFFAOYSA-N
XLogP5.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (CID 10022126) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The InChIKey is ZGHBPLCFZKJLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-6-28-21-13-11-20(12-14-21)27-17(4)22-16(3)25-26-24(23(22)18(27)5)19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3.
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine has a molecular weight of 371.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10022126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).