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

C11H7N3O2S — CID 70876393

IUPAC4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-4-7(6-17-9)8-5-12-10-2-1-3-13-14(8)10/h1-6H,(H,15,16)
InChIKeyNGFMKQUIDUZMGE-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.16
Rot. Bonds2

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

4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (PubChem CID 70876393) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
PubChem CID70876393
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-4-7(6-17-9)8-5-12-10-2-1-3-13-14(8)10/h1-6H,(H,15,16)
InChIKeyNGFMKQUIDUZMGE-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The IUPAC name of 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (CID 70876393) is 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The canonical SMILES for 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is O=C(O)c1cc(-c2cnc3cccnn23)cs1.
What is the InChIKey of 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The InChIKey is NGFMKQUIDUZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)9-4-7(6-17-9)8-5-12-10-2-1-3-13-14(8)10/h1-6H,(H,15,16).
What are the key properties of 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 70876393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).