ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate

C16H15N3O3 — CID 154659111

IUPACethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(-c3ccc(O)cc3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-10-19-15(17-12)8-7-14(18-19)11-3-5-13(20)6-4-11/h3-8,10,20H,2,9H2,1H3
InChIKeyAFCWLDGUTFTKGV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate

ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate (PubChem CID 154659111) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
PubChem CID154659111
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(-c3ccc(O)cc3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-10-19-15(17-12)8-7-14(18-19)11-3-5-13(20)6-4-11/h3-8,10,20H,2,9H2,1H3
InChIKeyAFCWLDGUTFTKGV-UHFFFAOYSA-N
XLogP2.21
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659114
ethyl 2-[6-(4-nitrophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659110
ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate
CID 166306790
ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
CID 13426063
N-ethyl-N-[(6-phenylimidazo[1,2-b]pyridazin-2-yl)methyl]ethanamine
CID 14406868
ethyl (3S)-3-[4-[[2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoate
CID 136992561
2-(6-aminoimidazo[1,2-b]pyridazin-2-yl)acetic acid
CID 84663801
ethyl 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetate
CID 10513068
methyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 131340084
propan-2-yl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 135394863
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate (CID 154659111) is ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate is CCOC(=O)Cc1cn2nc(-c3ccc(O)cc3)ccc2n1.
What is the InChIKey of ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The InChIKey is AFCWLDGUTFTKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-10-19-15(17-12)8-7-14(18-19)11-3-5-13(20)6-4-11/h3-8,10,20H,2,9H2,1H3.
What are the key properties of ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate has a molecular weight of 297.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate is sourced from PubChem (CID 154659111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).