6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine

C46H31F5N8O2S — CID 157119481

IUPAC6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(F)cc4)cn23)cc1.Fc1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(C(F)(F)F)cc4)cn23)cc1
InChIInChI=1S/C23H14F4N4.C23H17FN4O2S/c24-18-6-1-15(2-7-18)21-13-28-22-10-3-16(14-30(21)22)20-11-12-29-31(20)19-8-4-17(5-9-19)23(25,26)27;1-31(29,30)20-9-2-16(3-10-20)22-14-25-23-11-4-17(15-27(22)23)21-12-13-26-28(21)19-7-5-18(24)6-8-19/h1-14H;2-15H,1H3
InChIKeyAHUKXALOVWNXPH-UHFFFAOYSA-N
MW854.87 g/mol
LogP10.41
Rot. Bonds7

About 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine

6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 157119481) has the molecular formula C46H31F5N8O2S and a molecular weight of 854.87 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID157119481
Molecular FormulaC46H31F5N8O2S
Molecular Weight854.87 g/mol
Exact Mass854.22
IUPAC Name6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(F)cc4)cn23)cc1.Fc1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(C(F)(F)F)cc4)cn23)cc1
InChIInChI=1S/C23H14F4N4.C23H17FN4O2S/c24-18-6-1-15(2-7-18)21-13-28-22-10-3-16(14-30(21)22)20-11-12-29-31(20)19-8-4-17(5-9-19)23(25,26)27;1-31(29,30)20-9-2-16(3-10-20)22-14-25-23-11-4-17(15-27(22)23)21-12-13-26-28(21)19-7-5-18(24)6-8-19/h1-14H;2-15H,1H3
InChIKeyAHUKXALOVWNXPH-UHFFFAOYSA-N
XLogP10.41
TPSA104.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.87
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(difluoromethyl)-7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455452
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455515
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456478
3-(4-Methylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine
CID 90670289
3-(4-Methylsulfonylphenyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine
CID 118720950
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 127050519
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
1-[1-(5-Ethylpyrazin-2-yl)piperidin-4-yl]-6-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine
CID 168273301
4-[4-[5-(4-Fluorophenyl)sulfonylpyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032933
US9725449, Example 126
CID 122687190
6-(2-Methylsulfonylphenyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 154942730
3-(4-Methylsulfonylphenyl)-6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine
CID 118720949

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine (CID 157119481) is 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(F)cc4)cn23)cc1.Fc1ccc(-c2cnc3ccc(-c4ccnn4-c4ccc(C(F)(F)F)cc4)cn23)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is AHUKXALOVWNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N4.C23H17FN4O2S/c24-18-6-1-15(2-7-18)21-13-28-22-10-3-16(14-30(21)22)20-11-12-29-31(20)19-8-4-17(5-9-19)23(25,26)27;1-31(29,30)20-9-2-16(3-10-20)22-14-25-23-11-4-17(15-27(22)23)21-12-13-26-28(21)19-7-5-18(24)6-8-19/h1-14H;2-15H,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine?
6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 854.87 g/mol, XLogP of 10.41, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine;3-(4-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 157119481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).