2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine

C24H25N3O3 — CID 11269675

IUPAC2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H25N3O3/c1-3-15-30-22-14-13-21-25-23(18-9-11-20(12-10-18)29-17-16-28-2)24(27(21)26-22)19-7-5-4-6-8-19/h4-14H,3,15-17H2,1-2H3
InChIKeyBVSYPISEYIJCKB-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.88
Rot. Bonds9

About 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine

2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11269675) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11269675
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H25N3O3/c1-3-15-30-22-14-13-21-25-23(18-9-11-20(12-10-18)29-17-16-28-2)24(27(21)26-22)19-7-5-4-6-8-19/h4-14H,3,15-17H2,1-2H3
InChIKeyBVSYPISEYIJCKB-UHFFFAOYSA-N
XLogP4.88
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine (CID 11269675) is 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is BVSYPISEYIJCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-15-30-22-14-13-21-25-23(18-9-11-20(12-10-18)29-17-16-28-2)24(27(21)26-22)19-7-5-4-6-8-19/h4-14H,3,15-17H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine?
2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 403.48 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11269675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).