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

C23H29N3O — CID 10406422

IUPAC4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC4CCCC4)c3c2C)cc1
InChIInChI=1S/C23H29N3O/c1-5-27-20-12-10-19(11-13-20)26-16(3)22-15(2)24-25-21(23(22)17(26)4)14-18-8-6-7-9-18/h10-13,18H,5-9,14H2,1-4H3
InChIKeyJCSMLHNYPGZPFO-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.48
Rot. Bonds5

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

4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 10406422) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
PubChem CID10406422
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(CC4CCCC4)c3c2C)cc1
InChIInChI=1S/C23H29N3O/c1-5-27-20-12-10-19(11-13-20)26-16(3)22-15(2)24-25-21(23(22)17(26)4)14-18-8-6-7-9-18/h10-13,18H,5-9,14H2,1-4H3
InChIKeyJCSMLHNYPGZPFO-UHFFFAOYSA-N
XLogP5.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 10406422) is 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(CC4CCCC4)c3c2C)cc1.
What is the InChIKey of 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
The InChIKey is JCSMLHNYPGZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-5-27-20-12-10-19(11-13-20)26-16(3)22-15(2)24-25-21(23(22)17(26)4)14-18-8-6-7-9-18/h10-13,18H,5-9,14H2,1-4H3.
What are the key properties of 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?
4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 363.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 10406422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).