4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C18H14N4O3 — CID 90479881

IUPAC4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C18H14N4O3/c23-18(24)13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,19,21)(H,23,24)
InChIKeyWQZBWYLWRLKZAR-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.30
Rot. Bonds5

About 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 90479881) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID90479881
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C18H14N4O3/c23-18(24)13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,19,21)(H,23,24)
InChIKeyWQZBWYLWRLKZAR-UHFFFAOYSA-N
XLogP3.30
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 90479881) is 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1.
What is the InChIKey of 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is WQZBWYLWRLKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(24)13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-25-14/h1-9,11H,10H2,(H,19,21)(H,23,24).
What are the key properties of 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 334.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 90479881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).