6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine

C23H13FN4O — CID 164825609

IUPAC6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
SMILESFc1ccc2c(c1)oc1c(-c3nc4nnccc4n3-c3ccccc3)cccc12
InChIInChI=1S/C23H13FN4O/c24-14-9-10-16-17-7-4-8-18(21(17)29-20(16)13-14)23-26-22-19(11-12-25-27-22)28(23)15-5-2-1-3-6-15/h1-13H
InChIKeyVCJYWBWETOXTKN-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.52
Rot. Bonds2

About 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine

6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine (PubChem CID 164825609) has the molecular formula C23H13FN4O and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
PubChem CID164825609
Molecular FormulaC23H13FN4O
Molecular Weight380.38 g/mol
Exact Mass380.11
IUPAC Name6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
SMILESFc1ccc2c(c1)oc1c(-c3nc4nnccc4n3-c3ccccc3)cccc12
InChIInChI=1S/C23H13FN4O/c24-14-9-10-16-17-7-4-8-18(21(17)29-20(16)13-14)23-26-22-19(11-12-25-27-22)28(23)15-5-2-1-3-6-15/h1-13H
InChIKeyVCJYWBWETOXTKN-UHFFFAOYSA-N
XLogP5.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mbm-55
CID 137636872
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(2-fluorophenyl)methoxy]benzamide
CID 137643418
4-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
CID 137644537
1-[3-[6-(3-Furyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] ethanone
CID 126673046
1-[3-[6-(2-Methoxyphenyl) imidazo[1,2-b]pyridazin-3-yl]phenyl] ethanone
CID 126673145
5'-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-2'-fluoro-6-methoxy-N,N-dimethylbiphenyl-3-carboxamide
CID 118582680
US11512087, Example 8
CID 134448458
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
1-[3-[6-(3-Phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 71728500
4-[4-[3-Furyl(phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011484

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The IUPAC name of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine (CID 164825609) is 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The canonical SMILES for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine is Fc1ccc2c(c1)oc1c(-c3nc4nnccc4n3-c3ccccc3)cccc12.
What is the InChIKey of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The InChIKey is VCJYWBWETOXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN4O/c24-14-9-10-16-17-7-4-8-18(21(17)29-20(16)13-14)23-26-22-19(11-12-25-27-22)28(23)15-5-2-1-3-6-15/h1-13H.
What are the key properties of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine has a molecular weight of 380.38 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 164825609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).