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

C23H29N3O — CID 10428807

IUPAC4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCCC4)c3c2C)cc1
InChIInChI=1S/C23H29N3O/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/h11-14,18H,5-10H2,1-4H3
InChIKeyNBNBHFSNUWEJTM-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.79
Rot. Bonds4

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

4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10428807) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10428807
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCCC4)c3c2C)cc1
InChIInChI=1S/C23H29N3O/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/h11-14,18H,5-10H2,1-4H3
InChIKeyNBNBHFSNUWEJTM-UHFFFAOYSA-N
XLogP5.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10428807) is 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCCC4)c3c2C)cc1.
What is the InChIKey of 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is NBNBHFSNUWEJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/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/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 363.51 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10428807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).