5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid

C15H10F3N5O3 — CID 142580786

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cn2nc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ccc2n1
InChIInChI=1S/C15H10F3N5O3/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(25)26)13(19-5-8)15(16,17)18/h2-6H,1H3,(H,20,24)(H,25,26)
InChIKeyXTGZKGFKRADWBQ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.47
Rot. Bonds3

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 142580786) has the molecular formula C15H10F3N5O3 and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID142580786
Molecular FormulaC15H10F3N5O3
Molecular Weight365.27 g/mol
Exact Mass365.07
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(=O)Nc1cn2nc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ccc2n1
InChIInChI=1S/C15H10F3N5O3/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(25)26)13(19-5-8)15(16,17)18/h2-6H,1H3,(H,20,24)(H,25,26)
InChIKeyXTGZKGFKRADWBQ-UHFFFAOYSA-N
XLogP2.47
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 142580786) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid is CC(=O)Nc1cn2nc(-c3cnc(C(F)(F)F)c(C(=O)O)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is XTGZKGFKRADWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O3/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(25)26)13(19-5-8)15(16,17)18/h2-6H,1H3,(H,20,24)(H,25,26).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 365.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 142580786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).