2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C22H18F3N3O3S — CID 58259610

IUPAC2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C22H18F3N3O3S/c1-3-17-20(28-12-6-9-16(21(28)27-17)22(23,24)25)18-10-5-11-19(26-18)31-14-7-4-8-15(13-14)32(2,29)30/h4-13H,3H2,1-2H3
InChIKeyJOZPTQLBKIRZOE-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.17
Rot. Bonds5

About 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 58259610) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID58259610
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC Name2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C22H18F3N3O3S/c1-3-17-20(28-12-6-9-16(21(28)27-17)22(23,24)25)18-10-5-11-19(26-18)31-14-7-4-8-15(13-14)32(2,29)30/h4-13H,3H2,1-2H3
InChIKeyJOZPTQLBKIRZOE-UHFFFAOYSA-N
XLogP5.17
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 58259610) is 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is JOZPTQLBKIRZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c1-3-17-20(28-12-6-9-16(21(28)27-17)22(23,24)25)18-10-5-11-19(26-18)31-14-7-4-8-15(13-14)32(2,29)30/h4-13H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 461.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[6-(3-methylsulfonylphenoxy)-2-pyridinyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 58259610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).