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

C18H20IN3O3 — CID 11374420

IUPAC3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(I)n2n1
InChIInChI=1S/C18H20IN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3
InChIKeyVSDQKRFQYAYSNB-UHFFFAOYSA-N
MW453.28 g/mol
LogP3.81
Rot. Bonds8

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

3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11374420) has the molecular formula C18H20IN3O3 and a molecular weight of 453.28 g/mol. Its IUPAC name is 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11374420
Molecular FormulaC18H20IN3O3
Molecular Weight453.28 g/mol
Exact Mass453.05
IUPAC Name3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(I)n2n1
InChIInChI=1S/C18H20IN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3
InChIKeyVSDQKRFQYAYSNB-UHFFFAOYSA-N
XLogP3.81
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
Anitrazafen
CID 44410
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
US11419874, Example 5
CID 110173727
US10399985, Example 33
CID 118288234
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
2-(1,3-Benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
CID 10542018
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 10269139

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (CID 11374420) is 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(I)n2n1.
What is the InChIKey of 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is VSDQKRFQYAYSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 453.28 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11374420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).