4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine

C22H17N3O — CID 157122152

IUPAC4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)n[nH]1
InChIInChI=1S/C22H17N3O/c1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15/h3-12H,1-2H3,(H,24,25)
InChIKeyDTOALVRVMBGXNV-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.65
Rot. Bonds2

About 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine

4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine (PubChem CID 157122152) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine
PubChem CID157122152
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)n[nH]1
InChIInChI=1S/C22H17N3O/c1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15/h3-12H,1-2H3,(H,24,25)
InChIKeyDTOALVRVMBGXNV-UHFFFAOYSA-N
XLogP5.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
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CID 176779607
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
CID 157495373
3-(3-methylphenyl)dibenzofuran
CID 70924364
3-(2-chlorophenyl)dibenzofuran
CID 138667405
3-(2-fluorophenyl)dibenzofuran
CID 176831249
2-(2-methylphenyl)dibenzofuran
CID 118188503
4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 149371859
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155079111
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine (CID 157122152) is 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine is Cc1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C)cn2)n[nH]1.
What is the InChIKey of 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is DTOALVRVMBGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-13-12-23-19(20-9-14(2)24-25-20)11-18(13)15-7-8-17-16-5-3-4-6-21(16)26-22(17)10-15/h3-12H,1-2H3,(H,24,25).
What are the key properties of 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine?
4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 339.40 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 157122152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).