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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Related Compounds

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
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
US11419874, Example 5
CID 110173727
N,N-diethyl-2-[2-(4-methoxyphenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197007
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
2-[4-(2-Methoxyethoxy)phenyl]-3-chloro-6-propoxyimidazo[1,2-b]pyridazine
CID 11210651
6-(Cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11221464
6-(Cyclopropylmethoxy)-2-(4-ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 11358773
2-[4-(2-Methoxyethoxy)phenyl]-3-iodo-6-propoxyimidazo[1,2-b]pyridazine
CID 11374420

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).