3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

C19H15FN4O — CID 44530402

IUPAC3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C19H15FN4O/c20-15-6-4-13(5-7-15)11-21-18-8-9-19-22-12-17(24(19)23-18)14-2-1-3-16(25)10-14/h1-10,12,25H,11H2,(H,21,23)
InChIKeySTAFFEHOZFSGGL-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.85
Rot. Bonds4

About 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 44530402) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID44530402
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C19H15FN4O/c20-15-6-4-13(5-7-15)11-21-18-8-9-19-22-12-17(24(19)23-18)14-2-1-3-16(25)10-14/h1-10,12,25H,11H2,(H,21,23)
InChIKeySTAFFEHOZFSGGL-UHFFFAOYSA-N
XLogP3.85
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 44530402) is 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1.
What is the InChIKey of 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is STAFFEHOZFSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-15-6-4-13(5-7-15)11-21-18-8-9-19-22-12-17(24(19)23-18)14-2-1-3-16(25)10-14/h1-10,12,25H,11H2,(H,21,23).
What are the key properties of 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 334.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 44530402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).