2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine

C20H25N3O4 — CID 56673558

IUPAC2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1nn2cc(-c3ccc(OCCOC)c(OC)c3)nc2cc1C
InChIInChI=1S/C20H25N3O4/c1-5-8-27-20-14(2)11-19-21-16(13-23(19)22-20)15-6-7-17(18(12-15)25-4)26-10-9-24-3/h6-7,11-13H,5,8-10H2,1-4H3
InChIKeyKBAHIYKVYAPVPV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.53
Rot. Bonds9

About 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine

2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 56673558) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID56673558
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1nn2cc(-c3ccc(OCCOC)c(OC)c3)nc2cc1C
InChIInChI=1S/C20H25N3O4/c1-5-8-27-20-14(2)11-19-21-16(13-23(19)22-20)15-6-7-17(18(12-15)25-4)26-10-9-24-3/h6-7,11-13H,5,8-10H2,1-4H3
InChIKeyKBAHIYKVYAPVPV-UHFFFAOYSA-N
XLogP3.53
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.53
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]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine (CID 56673558) is 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1nn2cc(-c3ccc(OCCOC)c(OC)c3)nc2cc1C.
What is the InChIKey of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is KBAHIYKVYAPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-8-27-20-14(2)11-19-21-16(13-23(19)22-20)15-6-7-17(18(12-15)25-4)26-10-9-24-3/h6-7,11-13H,5,8-10H2,1-4H3.
What are the key properties of 2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 371.44 g/mol, XLogP of 3.53, 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]-7-methyl-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 56673558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).