6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine

C23H13FN4O — CID 164827302

IUPAC6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
SMILESFc1ccc(-c2nc3nnccc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C23H13FN4O/c24-17-11-10-16(21-20(17)15-8-4-5-9-19(15)29-21)23-26-22-18(12-13-25-27-22)28(23)14-6-2-1-3-7-14/h1-13H
InChIKeyYXJFBCGCPMFHGZ-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.52
Rot. Bonds2

About 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine

6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine (PubChem CID 164827302) has the molecular formula C23H13FN4O and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
PubChem CID164827302
Molecular FormulaC23H13FN4O
Molecular Weight380.38 g/mol
Exact Mass380.11
IUPAC Name6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
SMILESFc1ccc(-c2nc3nnccc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C23H13FN4O/c24-17-11-10-16(21-20(17)15-8-4-5-9-19(15)29-21)23-26-22-18(12-13-25-27-22)28(23)14-6-2-1-3-7-14/h1-13H
InChIKeyYXJFBCGCPMFHGZ-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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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The IUPAC name of 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine (CID 164827302) is 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The canonical SMILES for 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine is Fc1ccc(-c2nc3nnccc3n2-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
The InChIKey is YXJFBCGCPMFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN4O/c24-17-11-10-16(21-20(17)15-8-4-5-9-19(15)29-21)23-26-22-18(12-13-25-27-22)28(23)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine?
6-(1-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-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 164827302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).