2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine

C24H32N2O — CID 24758073

IUPAC2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
SMILESCCOc1ccc(-c2nn3c(C)cc(C(CC)CC)c3cc2C)c(CC)c1
InChIInChI=1S/C24H32N2O/c1-7-18(8-2)22-14-17(6)26-23(22)13-16(5)24(25-26)21-12-11-20(27-10-4)15-19(21)9-3/h11-15,18H,7-10H2,1-6H3
InChIKeyGHNNMYNCOJSMTB-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.48
Rot. Bonds7

About 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine

2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine (PubChem CID 24758073) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
PubChem CID24758073
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
SMILESCCOc1ccc(-c2nn3c(C)cc(C(CC)CC)c3cc2C)c(CC)c1
InChIInChI=1S/C24H32N2O/c1-7-18(8-2)22-14-17(6)26-23(22)13-16(5)24(25-26)21-12-11-20(27-10-4)15-19(21)9-3/h11-15,18H,7-10H2,1-6H3
InChIKeyGHNNMYNCOJSMTB-UHFFFAOYSA-N
XLogP6.48
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine (CID 24758073) is 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine is CCOc1ccc(-c2nn3c(C)cc(C(CC)CC)c3cc2C)c(CC)c1.
What is the InChIKey of 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The InChIKey is GHNNMYNCOJSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-7-18(8-2)22-14-17(6)26-23(22)13-16(5)24(25-26)21-12-11-20(27-10-4)15-19(21)9-3/h11-15,18H,7-10H2,1-6H3.
What are the key properties of 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine has a molecular weight of 364.53 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 24758073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).