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

C19H20N4O3 — CID 11175601

IUPAC2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(C#N)n2n1
InChIInChI=1S/C19H20N4O3/c1-3-10-26-18-9-8-17-21-19(16(13-20)23(17)22-18)14-4-6-15(7-5-14)25-12-11-24-2/h4-9H,3,10-12H2,1-2H3
InChIKeyIJSDSFGPCWMZDC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds8

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

2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 11175601) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID11175601
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(C#N)n2n1
InChIInChI=1S/C19H20N4O3/c1-3-10-26-18-9-8-17-21-19(16(13-20)23(17)22-18)14-4-6-15(7-5-14)25-12-11-24-2/h4-9H,3,10-12H2,1-2H3
InChIKeyIJSDSFGPCWMZDC-UHFFFAOYSA-N
XLogP3.08
TPSA81.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.08
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-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile (CID 11175601) is 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile is CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(C#N)n2n1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is IJSDSFGPCWMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-10-26-18-9-8-17-21-19(16(13-20)23(17)22-18)14-4-6-15(7-5-14)25-12-11-24-2/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile?
2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 11175601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).