3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C27H19F4N3O — CID 142661430

IUPAC3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)c(Oc2cc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)ccn2)c1
InChIInChI=1S/C27H19F4N3O/c1-16-3-4-17(2)23(13-16)35-24-14-19(11-12-32-24)25-22-10-7-20(27(29,30)31)15-34(22)33-26(25)18-5-8-21(28)9-6-18/h3-15H,1-2H3
InChIKeyKZJYLBVZHXQOPP-UHFFFAOYSA-N
MW477.46 g/mol
LogP7.63
Rot. Bonds4

About 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 142661430) has the molecular formula C27H19F4N3O and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID142661430
Molecular FormulaC27H19F4N3O
Molecular Weight477.46 g/mol
Exact Mass477.15
IUPAC Name3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc(C)c(Oc2cc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)ccn2)c1
InChIInChI=1S/C27H19F4N3O/c1-16-3-4-17(2)23(13-16)35-24-14-19(11-12-32-24)25-22-10-7-20(27(29,30)31)15-34(22)33-26(25)18-5-8-21(28)9-6-18/h3-15H,1-2H3
InChIKeyKZJYLBVZHXQOPP-UHFFFAOYSA-N
XLogP7.63
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
Jnj-42259152
CID 51353528
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193703
4-(Fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193704
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 122193935
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
7-(Cyclopentyloxy)-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027369
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
CID 21027446

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 142661430) is 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is Cc1ccc(C)c(Oc2cc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)ccn2)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is KZJYLBVZHXQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N3O/c1-16-3-4-17(2)23(13-16)35-24-14-19(11-12-32-24)25-22-10-7-20(27(29,30)31)15-34(22)33-26(25)18-5-8-21(28)9-6-18/h3-15H,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 477.46 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)-4-pyridinyl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 142661430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).