2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C16H16ClFN4O — CID 6419820

IUPAC2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccc(F)c(Cl)c3)n2n1
InChIInChI=1S/C16H16ClFN4O/c1-2-11(9-23)20-15-5-6-16-19-8-14(22(16)21-15)10-3-4-13(18)12(17)7-10/h3-8,11,23H,2,9H2,1H3,(H,20,21)
InChIKeyKWWMCDVDRSJVAC-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.37
Rot. Bonds5

About 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 6419820) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID6419820
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccc(F)c(Cl)c3)n2n1
InChIInChI=1S/C16H16ClFN4O/c1-2-11(9-23)20-15-5-6-16-19-8-14(22(16)21-15)10-3-4-13(18)12(17)7-10/h3-8,11,23H,2,9H2,1H3,(H,20,21)
InChIKeyKWWMCDVDRSJVAC-UHFFFAOYSA-N
XLogP3.37
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 6419820) is 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3ccc(F)c(Cl)c3)n2n1.
What is the InChIKey of 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is KWWMCDVDRSJVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-2-11(9-23)20-15-5-6-16-19-8-14(22(16)21-15)10-3-4-13(18)12(17)7-10/h3-8,11,23H,2,9H2,1H3,(H,20,21).
What are the key properties of 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 334.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 6419820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).