7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine

C21H17FN2O2S — CID 139886914

IUPAC7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3c(CF)cccc23)cc1
InChIInChI=1S/C21H17FN2O2S/c1-27(25,26)18-12-10-15(11-13-18)20-19-9-5-8-17(14-22)24(19)23-21(20)16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeySMNHUMRUJISVIT-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.54
Rot. Bonds4

About 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine

7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine (PubChem CID 139886914) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
PubChem CID139886914
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3c(CF)cccc23)cc1
InChIInChI=1S/C21H17FN2O2S/c1-27(25,26)18-12-10-15(11-13-18)20-19-9-5-8-17(14-22)24(19)23-21(20)16-6-3-2-4-7-16/h2-13H,14H2,1H3
InChIKeySMNHUMRUJISVIT-UHFFFAOYSA-N
XLogP4.54
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine (CID 139886914) is 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3c(CF)cccc23)cc1.
What is the InChIKey of 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine?
The InChIKey is SMNHUMRUJISVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-27(25,26)18-12-10-15(11-13-18)20-19-9-5-8-17(14-22)24(19)23-21(20)16-6-3-2-4-7-16/h2-13H,14H2,1H3.
What are the key properties of 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine?
7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine has a molecular weight of 380.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139886914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).