3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C26H17F4N3O2S — CID 12531803

IUPAC3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)cc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C26H17F4N3O2S/c1-16-7-13-20(14-8-16)36(34,35)33-25-23(24(32-33)18-9-11-19(27)12-10-18)21(17-5-3-2-4-6-17)15-22(31-25)26(28,29)30/h2-15H,1H3
InChIKeyWHUFKLSQAOHJJS-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.47
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 12531803) has the molecular formula C26H17F4N3O2S and a molecular weight of 511.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID12531803
Molecular FormulaC26H17F4N3O2S
Molecular Weight511.50 g/mol
Exact Mass511.10
IUPAC Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)cc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C26H17F4N3O2S/c1-16-7-13-20(14-8-16)36(34,35)33-25-23(24(32-33)18-9-11-19(27)12-10-18)21(17-5-3-2-4-6-17)15-22(31-25)26(28,29)30/h2-15H,1H3
InChIKeyWHUFKLSQAOHJJS-UHFFFAOYSA-N
XLogP6.47
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-(4-fluorophenyl)sulfonyl-5-methyl-4-(4-methylphenyl)triazole
CID 164925435
5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
CID 135029088
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 155559230
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
CID 163303734
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
CID 15213749
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 146169459
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 12531803) is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)cc(C(F)(F)F)nc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WHUFKLSQAOHJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N3O2S/c1-16-7-13-20(14-8-16)36(34,35)33-25-23(24(32-33)18-9-11-19(27)12-10-18)21(17-5-3-2-4-6-17)15-22(31-25)26(28,29)30/h2-15H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 511.50 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-4-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 12531803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).