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

C20H16FN3O2 — CID 137120113

IUPAC4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)ccc1O
InChIInChI=1S/C20H16FN3O2/c1-26-19-11-14(4-8-18(19)25)17-12-22-20-9-7-16(23-24(17)20)10-13-2-5-15(21)6-3-13/h2-9,11-12,25H,10H2,1H3
InChIKeyVYABDZAULYMHPB-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.84
Rot. Bonds4

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

4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (PubChem CID 137120113) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
PubChem CID137120113
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)ccc1O
InChIInChI=1S/C20H16FN3O2/c1-26-19-11-14(4-8-18(19)25)17-12-22-20-9-7-16(23-24(17)20)10-13-2-5-15(21)6-3-13/h2-9,11-12,25H,10H2,1H3
InChIKeyVYABDZAULYMHPB-UHFFFAOYSA-N
XLogP3.84
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (CID 137120113) is 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is COc1cc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)ccc1O.
What is the InChIKey of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The InChIKey is VYABDZAULYMHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-26-19-11-14(4-8-18(19)25)17-12-22-20-9-7-16(23-24(17)20)10-13-2-5-15(21)6-3-13/h2-9,11-12,25H,10H2,1H3.
What are the key properties of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol has a molecular weight of 349.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 137120113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).