6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride

C24H26ClN3O2 — CID 10342265

IUPAC6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride
SMILESCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1.Cl
InChIInChI=1S/C24H25N3O2.ClH/c1-14-7-9-18(10-8-14)24-23-17(4)27(16(3)22(23)15(2)25-26-24)20-12-11-19(28-5)13-21(20)29-6;/h7-13H,1-6H3;1H
InChIKeyJUTNEXPUEOSCAF-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.76
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride

6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride (PubChem CID 10342265) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride
PubChem CID10342265
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride
SMILESCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1.Cl
InChIInChI=1S/C24H25N3O2.ClH/c1-14-7-9-18(10-8-14)24-23-17(4)27(16(3)22(23)15(2)25-26-24)20-12-11-19(28-5)13-21(20)29-6;/h7-13H,1-6H3;1H
InChIKeyJUTNEXPUEOSCAF-UHFFFAOYSA-N
XLogP5.76
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride (CID 10342265) is 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride is COc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)c(OC)c1.Cl.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride?
The InChIKey is JUTNEXPUEOSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.ClH/c1-14-7-9-18(10-8-14)24-23-17(4)27(16(3)22(23)15(2)25-26-24)20-12-11-19(28-5)13-21(20)29-6;/h7-13H,1-6H3;1H.
What are the key properties of 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride?
6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-1,5,7-trimethyl-4-(4-methylphenyl)pyrrolo[3,4-d]pyridazine;hydrochloride is sourced from PubChem (CID 10342265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).