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

C16H15N3O4 — CID 2815679

IUPACethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(OC)cc3)ccc2n1
InChIInChI=1S/C16H15N3O4/c1-3-22-16(20)13-10-19-14(17-13)8-9-15(18-19)23-12-6-4-11(21-2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyFJHHOYYOUAKNQS-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.71
Rot. Bonds5

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

ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815679) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815679
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Nameethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(OC)cc3)ccc2n1
InChIInChI=1S/C16H15N3O4/c1-3-22-16(20)13-10-19-14(17-13)8-9-15(18-19)23-12-6-4-11(21-2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyFJHHOYYOUAKNQS-UHFFFAOYSA-N
XLogP2.71
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 6-[4-(acetylamino)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815684
2-(4-Methoxyphenoxy)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2551439
Ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815680
Ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815682
Ethyl 6-[4-(4-acetylpiperazin-1-yl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815686
Ethyl 8-[(4-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate
CID 70510955
Ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate
CID 70518018
Ethyl 8-[(2,6-difluorobenzyl)oxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 86717889

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815679) is ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(OC)cc3)ccc2n1.
What is the InChIKey of ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is FJHHOYYOUAKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-3-22-16(20)13-10-19-14(17-13)8-9-15(18-19)23-12-6-4-11(21-2)5-7-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).