3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C16H16N4O3 — CID 126471896

IUPAC3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESCOCCNc1ccc2ncc(-c3cccc(C(=O)O)c3)n2n1
InChIInChI=1S/C16H16N4O3/c1-23-8-7-17-14-5-6-15-18-10-13(20(15)19-14)11-3-2-4-12(9-11)16(21)22/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,21,22)
InChIKeyFNFHWWKWQDGTCL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.15
Rot. Bonds6

About 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 126471896) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID126471896
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESCOCCNc1ccc2ncc(-c3cccc(C(=O)O)c3)n2n1
InChIInChI=1S/C16H16N4O3/c1-23-8-7-17-14-5-6-15-18-10-13(20(15)19-14)11-3-2-4-12(9-11)16(21)22/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,21,22)
InChIKeyFNFHWWKWQDGTCL-UHFFFAOYSA-N
XLogP2.15
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]prop-2-enoic acid
CID 66889633
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
CID 25104179
methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 126475878
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 53357956
3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 126473439
N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
CID 43957698
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 126471896) is 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is COCCNc1ccc2ncc(-c3cccc(C(=O)O)c3)n2n1.
What is the InChIKey of 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is FNFHWWKWQDGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-8-7-17-14-5-6-15-18-10-13(20(15)19-14)11-3-2-4-12(9-11)16(21)22/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 126471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).