ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate

C16H22N4O3 — CID 166306790

IUPACethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(NC3CC(CCO)C3)ccc2n1
InChIInChI=1S/C16H22N4O3/c1-2-23-16(22)9-13-10-20-15(18-13)4-3-14(19-20)17-12-7-11(8-12)5-6-21/h3-4,10-12,21H,2,5-9H2,1H3,(H,17,19)
InChIKeySCPQSSXZYJYZBS-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.41
Rot. Bonds7

About ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate

ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate (PubChem CID 166306790) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate
PubChem CID166306790
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(NC3CC(CCO)C3)ccc2n1
InChIInChI=1S/C16H22N4O3/c1-2-23-16(22)9-13-10-20-15(18-13)4-3-14(19-20)17-12-7-11(8-12)5-6-21/h3-4,10-12,21H,2,5-9H2,1H3,(H,17,19)
InChIKeySCPQSSXZYJYZBS-UHFFFAOYSA-N
XLogP1.41
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659111
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-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
CID 13426063
ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
CID 83966576
ethyl 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetate
CID 10513068
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
CID 110474210
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 2-(1-methylimidazol-4-yl)acetate
CID 77134384
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 2-pyrazolo[1,5-a]pyridin-2-ylacetate
CID 86117468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate (CID 166306790) is ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate is CCOC(=O)Cc1cn2nc(NC3CC(CCO)C3)ccc2n1.
What is the InChIKey of ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate?
The InChIKey is SCPQSSXZYJYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-23-16(22)9-13-10-20-15(18-13)4-3-14(19-20)17-12-7-11(8-12)5-6-21/h3-4,10-12,21H,2,5-9H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate?
ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate has a molecular weight of 318.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate is sourced from PubChem (CID 166306790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).