3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

C19H15ClN4O — CID 58857765

IUPAC3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C19H15ClN4O/c20-15-5-1-3-13(9-15)11-21-18-7-8-19-22-12-17(24(19)23-18)14-4-2-6-16(25)10-14/h1-10,12,25H,11H2,(H,21,23)
InChIKeyFMTJPFVOKYXOGV-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.37
Rot. Bonds4

About 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 58857765) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID58857765
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C19H15ClN4O/c20-15-5-1-3-13(9-15)11-21-18-7-8-19-22-12-17(24(19)23-18)14-4-2-6-16(25)10-14/h1-10,12,25H,11H2,(H,21,23)
InChIKeyFMTJPFVOKYXOGV-UHFFFAOYSA-N
XLogP4.37
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol 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-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 58857765) is 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1.
What is the InChIKey of 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is FMTJPFVOKYXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-15-5-1-3-13(9-15)11-21-18-7-8-19-22-12-17(24(19)23-18)14-4-2-6-16(25)10-14/h1-10,12,25H,11H2,(H,21,23).
What are the key properties of 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 350.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 58857765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).