6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

C25H27N3O2 — CID 58669738

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1
InChIInChI=1S/C25H27N3O2/c1-7-30-20-12-13-21(22(14-20)29-6)28-17(4)23-16(3)26-27-25(24(23)18(28)5)19-10-8-15(2)9-11-19/h8-14H,7H2,1-6H3
InChIKeyUPEXEJXIEWOYSS-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.73
Rot. Bonds5

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (PubChem CID 58669738) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
PubChem CID58669738
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1
InChIInChI=1S/C25H27N3O2/c1-7-30-20-12-13-21(22(14-20)29-6)28-17(4)23-16(3)26-27-25(24(23)18(28)5)19-10-8-15(2)9-11-19/h8-14H,7H2,1-6H3
InChIKeyUPEXEJXIEWOYSS-UHFFFAOYSA-N
XLogP5.73
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine (CID 58669738) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
The InChIKey is UPEXEJXIEWOYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-7-30-20-12-13-21(22(14-20)29-6)28-17(4)23-16(3)26-27-25(24(23)18(28)5)19-10-8-15(2)9-11-19/h8-14H,7H2,1-6H3.
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine has a molecular weight of 401.51 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 58669738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).