3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid

C16H13ClN4O2 — CID 167436244

IUPAC3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CN(c3cc(Cl)nn4ccnc34)C2)c1
InChIInChI=1S/C16H13ClN4O2/c17-14-7-13(15-18-4-5-21(15)19-14)20-8-12(9-20)10-2-1-3-11(6-10)16(22)23/h1-7,12H,8-9H2,(H,22,23)
InChIKeySFEUDYMFWXJHGP-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.68
Rot. Bonds3

About 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid

3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid (PubChem CID 167436244) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid
PubChem CID167436244
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2CN(c3cc(Cl)nn4ccnc34)C2)c1
InChIInChI=1S/C16H13ClN4O2/c17-14-7-13(15-18-4-5-21(15)19-14)20-8-12(9-20)10-2-1-3-11(6-10)16(22)23/h1-7,12H,8-9H2,(H,22,23)
InChIKeySFEUDYMFWXJHGP-UHFFFAOYSA-N
XLogP2.68
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-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 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid (CID 167436244) is 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid is O=C(O)c1cccc(C2CN(c3cc(Cl)nn4ccnc34)C2)c1.
What is the InChIKey of 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid?
The InChIKey is SFEUDYMFWXJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-14-7-13(15-18-4-5-21(15)19-14)20-8-12(9-20)10-2-1-3-11(6-10)16(22)23/h1-7,12H,8-9H2,(H,22,23).
What are the key properties of 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid?
3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid has a molecular weight of 328.76 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid is sourced from PubChem (CID 167436244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).