ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate

C17H15ClF2N4O4 — CID 171552979

IUPACethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)c(C)cc2n1
InChIInChI=1S/C17H15ClF2N4O4/c1-3-26-17(25)11-7-24-14(22-11)4-9(2)15(23-24)28-16-12(27-8-13(19)20)5-10(18)6-21-16/h4-7,13H,3,8H2,1-2H3
InChIKeyOBKCRZNOUSGGDK-UHFFFAOYSA-N
MW412.78 g/mol
LogP3.70
Rot. Bonds7

About ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 171552979) has the molecular formula C17H15ClF2N4O4 and a molecular weight of 412.78 g/mol. Its IUPAC name is ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID171552979
Molecular FormulaC17H15ClF2N4O4
Molecular Weight412.78 g/mol
Exact Mass412.07
IUPAC Nameethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)c(C)cc2n1
InChIInChI=1S/C17H15ClF2N4O4/c1-3-26-17(25)11-7-24-14(22-11)4-9(2)15(23-24)28-16-12(27-8-13(19)20)5-10(18)6-21-16/h4-7,13H,3,8H2,1-2H3
InChIKeyOBKCRZNOUSGGDK-UHFFFAOYSA-N
XLogP3.70
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.78
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate (CID 171552979) is ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)c(C)cc2n1.
What is the InChIKey of ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is OBKCRZNOUSGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O4/c1-3-26-17(25)11-7-24-14(22-11)4-9(2)15(23-24)28-16-12(27-8-13(19)20)5-10(18)6-21-16/h4-7,13H,3,8H2,1-2H3.
What are the key properties of ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 412.78 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 171552979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).