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

C22H27N3O — CID 10089184

IUPAC4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCC4)c3c2C)cc1
InChIInChI=1S/C22H27N3O/c1-5-26-19-12-10-18(11-13-19)25-15(3)20-14(2)23-24-22(21(20)16(25)4)17-8-6-7-9-17/h10-13,17H,5-9H2,1-4H3
InChIKeySKWBKIZBGPUXHN-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.40
Rot. Bonds4

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

4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10089184) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10089184
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCC4)c3c2C)cc1
InChIInChI=1S/C22H27N3O/c1-5-26-19-12-10-18(11-13-19)25-15(3)20-14(2)23-24-22(21(20)16(25)4)17-8-6-7-9-17/h10-13,17H,5-9H2,1-4H3
InChIKeySKWBKIZBGPUXHN-UHFFFAOYSA-N
XLogP5.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10089184) is 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCC4)c3c2C)cc1.
What is the InChIKey of 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is SKWBKIZBGPUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-26-19-12-10-18(11-13-19)25-15(3)20-14(2)23-24-22(21(20)16(25)4)17-8-6-7-9-17/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 349.48 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10089184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).