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

C18H13FN4O — CID 134809360

IUPAC3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol
SMILESOc1cccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H13FN4O/c19-13-6-4-12(5-7-13)16-8-9-17-20-11-18(23(17)22-16)21-14-2-1-3-15(24)10-14/h1-11,21,24H
InChIKeyASRJNKZVAHZUII-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.98
Rot. Bonds3

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

3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol (PubChem CID 134809360) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol
PubChem CID134809360
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol
SMILESOc1cccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H13FN4O/c19-13-6-4-12(5-7-13)16-8-9-17-20-11-18(23(17)22-16)21-14-2-1-3-15(24)10-14/h1-11,21,24H
InChIKeyASRJNKZVAHZUII-UHFFFAOYSA-N
XLogP3.98
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.98
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)imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The IUPAC name of 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol (CID 134809360) is 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol.
What is the SMILES notation for 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The canonical SMILES for 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol is Oc1cccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1.
What is the InChIKey of 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The InChIKey is ASRJNKZVAHZUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-13-6-4-12(5-7-13)16-8-9-17-20-11-18(23(17)22-16)21-14-2-1-3-15(24)10-14/h1-11,21,24H.
What are the key properties of 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol has a molecular weight of 320.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol is sourced from PubChem (CID 134809360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).