ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

C17H16N4O4 — CID 2815684

IUPACethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(NC(C)=O)cc3)ccc2n1
InChIInChI=1S/C17H16N4O4/c1-3-24-17(23)14-10-21-15(19-14)8-9-16(20-21)25-13-6-4-12(5-7-13)18-11(2)22/h4-10H,3H2,1-2H3,(H,18,22)
InChIKeyDHEFOYFYUMQCMK-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.66
Rot. Bonds5

About ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815684) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815684
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(NC(C)=O)cc3)ccc2n1
InChIInChI=1S/C17H16N4O4/c1-3-24-17(23)14-10-21-15(19-14)8-9-16(20-21)25-13-6-4-12(5-7-13)18-11(2)22/h4-10H,3H2,1-2H3,(H,18,22)
InChIKeyDHEFOYFYUMQCMK-UHFFFAOYSA-N
XLogP2.66
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815678
Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
Ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
CID 2815683
Ethyl 6-[4-(methoxycarbonyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815687
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate
CID 3771443
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505509
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1-methyl-1h-1,2,3-triazole-5-carboxamide
CID 57505518
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72737557
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72737558
US10246466, Example 42
CID 118256553
6-(3,5-difluoro-2-methoxyanilino)-N-[(2S)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 145980561
6-(3,5-difluoro-2-methoxyanilino)-N-(3-hydroxy-2,2-dimethylpropyl)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 145990931

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815684) is ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(NC(C)=O)cc3)ccc2n1.
What is the InChIKey of ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is DHEFOYFYUMQCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-24-17(23)14-10-21-15(19-14)8-9-16(20-21)25-13-6-4-12(5-7-13)18-11(2)22/h4-10H,3H2,1-2H3,(H,18,22).
What are the key properties of ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-acetamidophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).