2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine

C23H13FN4O — CID 164825393

IUPAC2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine
SMILESFc1ccc(-c2nc3cnncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C23H13FN4O/c24-17-11-10-16(22-21(17)15-8-4-5-9-20(15)29-22)23-27-18-12-25-26-13-19(18)28(23)14-6-2-1-3-7-14/h1-13H
InChIKeyAAIMBQRLBORMJR-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.52
Rot. Bonds2

About 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine

2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine (PubChem CID 164825393) has the molecular formula C23H13FN4O and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine
PubChem CID164825393
Molecular FormulaC23H13FN4O
Molecular Weight380.38 g/mol
Exact Mass380.11
IUPAC Name2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine
SMILESFc1ccc(-c2nc3cnncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C23H13FN4O/c24-17-11-10-16(22-21(17)15-8-4-5-9-20(15)29-22)23-27-18-12-25-26-13-19(18)28(23)14-6-2-1-3-7-14/h1-13H
InChIKeyAAIMBQRLBORMJR-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
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
1-(4-Fluorophenyl)-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone bromide
CID 71726550
1-Benzyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-1-ium bromide
CID 71726678
1-[4-(1-Benzofuran-2-yl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57960874
2-(4-Fluorophenyl)-3-[3-(3-furyl)phenyl]imidazo[1,2-a]pyridine
CID 71699621
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
1-[(2-Phenyl-1-benzofuran-3-yl)methyl]benzimidazole
CID 71725441
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[3-(triazol-2-yl)phenyl]ethyl]pyrimidin-4-amine
CID 127037502

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine?
The IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine (CID 164825393) is 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine.
What is the SMILES notation for 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine?
The canonical SMILES for 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine is Fc1ccc(-c2nc3cnncc3n2-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine?
The InChIKey is AAIMBQRLBORMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN4O/c24-17-11-10-16(22-21(17)15-8-4-5-9-20(15)29-22)23-27-18-12-25-26-13-19(18)28(23)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine?
2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]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 2-(1-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine is sourced from PubChem (CID 164825393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).