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

C23H23N3O — CID 10450984

IUPAC6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C23H23N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3
InChIKeyCRVJTYWQGPEIGQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.41
Rot. Bonds4

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

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine (PubChem CID 10450984) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine
PubChem CID10450984
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C23H23N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3
InChIKeyCRVJTYWQGPEIGQ-UHFFFAOYSA-N
XLogP5.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.41
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-phenylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine (CID 10450984) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccccc4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine?
The InChIKey is CRVJTYWQGPEIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3.
What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine?
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-phenylpyrrolo[3,4-d]pyridazine has a molecular weight of 357.46 g/mol, XLogP of 5.41, 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-phenylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10450984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).