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

C19H23N3O4 — CID 11187428

IUPAC2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)cn2n1
InChIInChI=1S/C19H23N3O4/c1-4-9-26-19-8-7-18-20-15(13-22(18)21-19)14-5-6-16(17(12-14)24-3)25-11-10-23-2/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyMZLQGXYHYZKLIG-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.22
Rot. Bonds9

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

2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11187428) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11187428
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)cn2n1
InChIInChI=1S/C19H23N3O4/c1-4-9-26-19-8-7-18-20-15(13-22(18)21-19)14-5-6-16(17(12-14)24-3)25-11-10-23-2/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyMZLQGXYHYZKLIG-UHFFFAOYSA-N
XLogP3.22
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (CID 11187428) is 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)cn2n1.
What is the InChIKey of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is MZLQGXYHYZKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-9-26-19-8-7-18-20-15(13-22(18)21-19)14-5-6-16(17(12-14)24-3)25-11-10-23-2/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 357.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11187428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).