2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H21F3N2O3S — CID 46226318

IUPAC2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1
InChIInChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3
InChIKeyTXKFTWAELLNECY-UHFFFAOYSA-N
MW474.50 g/mol
LogP6.30
Rot. Bonds5

About 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 46226318) has the molecular formula C24H21F3N2O3S and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID46226318
Molecular FormulaC24H21F3N2O3S
Molecular Weight474.50 g/mol
Exact Mass474.12
IUPAC Name2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1
InChIInChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3
InChIKeyTXKFTWAELLNECY-UHFFFAOYSA-N
XLogP6.30
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 46226318) is 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1.
What is the InChIKey of 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is TXKFTWAELLNECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3.
What are the key properties of 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 474.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(3-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46226318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).