3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid

C12H7F2N3O2S — CID 67145561

IUPAC3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1scc(-c2cnc3cccnn23)c1C(F)F
InChIInChI=1S/C12H7F2N3O2S/c13-11(14)9-6(5-20-10(9)12(18)19)7-4-15-8-2-1-3-16-17(7)8/h1-5,11H,(H,18,19)
InChIKeyJAKWZGYVEBKVGF-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.09
Rot. Bonds3

About 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid

3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (PubChem CID 67145561) has the molecular formula C12H7F2N3O2S and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
PubChem CID67145561
Molecular FormulaC12H7F2N3O2S
Molecular Weight295.27 g/mol
Exact Mass295.02
IUPAC Name3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1scc(-c2cnc3cccnn23)c1C(F)F
InChIInChI=1S/C12H7F2N3O2S/c13-11(14)9-6(5-20-10(9)12(18)19)7-4-15-8-2-1-3-16-17(7)8/h1-5,11H,(H,18,19)
InChIKeyJAKWZGYVEBKVGF-UHFFFAOYSA-N
XLogP3.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (CID 67145561) is 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is O=C(O)c1scc(-c2cnc3cccnn23)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The InChIKey is JAKWZGYVEBKVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O2S/c13-11(14)9-6(5-20-10(9)12(18)19)7-4-15-8-2-1-3-16-17(7)8/h1-5,11H,(H,18,19).
What are the key properties of 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 67145561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).