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

C16H15N3O3 — CID 2815681

IUPACethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C)cc3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-3-21-16(20)13-10-19-14(17-13)8-9-15(18-19)22-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyAWQDWTSHTRFSCS-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.01
Rot. Bonds4

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

ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815681) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815681
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C)cc3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-3-21-16(20)13-10-19-14(17-13)8-9-15(18-19)22-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyAWQDWTSHTRFSCS-UHFFFAOYSA-N
XLogP3.01
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10399985, Example 39
CID 118288256
Ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815678
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
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]-6-propoxyimidazo[1,2-b]pyridazine
CID 11381836
2-[6-(3-Phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659094
2-[6-(3-Methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659101
2-[6-(4-Methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 155019861
Ethyl 6-[4-(acetylamino)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815684
US10246466, Example 42
CID 118256553

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815681) is ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(C)cc3)ccc2n1.
What is the InChIKey of ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is AWQDWTSHTRFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-21-16(20)13-10-19-14(17-13)8-9-15(18-19)22-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).