1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol

C17H12ClFN4O — CID 58147542

IUPAC1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol
SMILESCC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C17H12ClFN4O/c1-17(24,14-9-21-16-5-4-15(18)22-23(14)16)11-7-10-3-2-6-20-13(10)8-12(11)19/h2-9,24H,1H3
InChIKeyOFNXNYBPZDTTAN-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.33
Rot. Bonds2

About 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol

1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol (PubChem CID 58147542) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol
PubChem CID58147542
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol
SMILESCC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C17H12ClFN4O/c1-17(24,14-9-21-16-5-4-15(18)22-23(14)16)11-7-10-3-2-6-20-13(10)8-12(11)19/h2-9,24H,1H3
InChIKeyOFNXNYBPZDTTAN-UHFFFAOYSA-N
XLogP3.33
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol?
The IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol (CID 58147542) is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol?
The canonical SMILES for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol is CC(O)(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.
What is the InChIKey of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol?
The InChIKey is OFNXNYBPZDTTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-17(24,14-9-21-16-5-4-15(18)22-23(14)16)11-7-10-3-2-6-20-13(10)8-12(11)19/h2-9,24H,1H3.
What are the key properties of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol?
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol has a molecular weight of 342.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol is sourced from PubChem (CID 58147542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).