3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C26H24F3N3O3S — CID 46877575

IUPAC3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
InChIKeyHZBNGPXKCIHTTC-UHFFFAOYSA-N
MW515.56 g/mol
LogP5.81
Rot. Bonds6

About 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 46877575) has the molecular formula C26H24F3N3O3S and a molecular weight of 515.56 g/mol. Its IUPAC name is 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID46877575
Molecular FormulaC26H24F3N3O3S
Molecular Weight515.56 g/mol
Exact Mass515.15
IUPAC Name3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
InChIKeyHZBNGPXKCIHTTC-UHFFFAOYSA-N
XLogP5.81
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.56
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 46877575) is 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn34)c2)c1.
What is the InChIKey of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is HZBNGPXKCIHTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3.
What are the key properties of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 515.56 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46877575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).