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

C17H15N3O5 — CID 2815687

IUPACethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C(=O)OC)cc3)ccc2n1
InChIInChI=1S/C17H15N3O5/c1-3-24-17(22)13-10-20-14(18-13)8-9-15(19-20)25-12-6-4-11(5-7-12)16(21)23-2/h4-10H,3H2,1-2H3
InChIKeyMCRSVLORAOBPPW-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.48
Rot. Bonds5

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

ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815687) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815687
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Nameethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C(=O)OC)cc3)ccc2n1
InChIInChI=1S/C17H15N3O5/c1-3-24-17(22)13-10-20-14(18-13)8-9-15(19-20)25-12-6-4-11(5-7-12)16(21)23-2/h4-10H,3H2,1-2H3
InChIKeyMCRSVLORAOBPPW-UHFFFAOYSA-N
XLogP2.48
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815687) is ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(C(=O)OC)cc3)ccc2n1.
What is the InChIKey of ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is MCRSVLORAOBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-3-24-17(22)13-10-20-14(18-13)8-9-15(19-20)25-12-6-4-11(5-7-12)16(21)23-2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxycarbonylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).