7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine

C25H17F3N2O2S2 — CID 164625898

IUPAC7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccccc5C(F)(F)F)s4)cnc3c2)cc1
InChIInChI=1S/C25H17F3N2O2S2/c1-34(31,32)18-8-6-16(7-9-18)17-12-13-30-21(15-29-24(30)14-17)23-11-10-22(33-23)19-4-2-3-5-20(19)25(26,27)28/h2-15H,1H3
InChIKeyMQZPSEBMVYGJRP-UHFFFAOYSA-N
MW498.55 g/mol
LogP6.82
Rot. Bonds4

About 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine

7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine (PubChem CID 164625898) has the molecular formula C25H17F3N2O2S2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
PubChem CID164625898
Molecular FormulaC25H17F3N2O2S2
Molecular Weight498.55 g/mol
Exact Mass498.07
IUPAC Name7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccccc5C(F)(F)F)s4)cnc3c2)cc1
InChIInChI=1S/C25H17F3N2O2S2/c1-34(31,32)18-8-6-16(7-9-18)17-12-13-30-21(15-29-24(30)14-17)23-11-10-22(33-23)19-4-2-3-5-20(19)25(26,27)28/h2-15H,1H3
InChIKeyMQZPSEBMVYGJRP-UHFFFAOYSA-N
XLogP6.82
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine (CID 164625898) is 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccccc5C(F)(F)F)s4)cnc3c2)cc1.
What is the InChIKey of 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is MQZPSEBMVYGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O2S2/c1-34(31,32)18-8-6-16(7-9-18)17-12-13-30-21(15-29-24(30)14-17)23-11-10-22(33-23)19-4-2-3-5-20(19)25(26,27)28/h2-15H,1H3.
What are the key properties of 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 498.55 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 164625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).