1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one

C24H19F3N2O5S — CID 146737004

IUPAC1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C24H19F3N2O5S/c1-33-21-10-6-18(34-24(25,26)27)14-22(21)35(31,32)19-7-2-16(3-8-19)4-9-20(30)17-5-11-23-28-12-13-29(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3
InChIKeyRJLFYSRAQQONTH-UHFFFAOYSA-N
MW504.49 g/mol
LogP4.89
Rot. Bonds8

About 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one

1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one (PubChem CID 146737004) has the molecular formula C24H19F3N2O5S and a molecular weight of 504.49 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one
PubChem CID146737004
Molecular FormulaC24H19F3N2O5S
Molecular Weight504.49 g/mol
Exact Mass504.10
IUPAC Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C24H19F3N2O5S/c1-33-21-10-6-18(34-24(25,26)27)14-22(21)35(31,32)19-7-2-16(3-8-19)4-9-20(30)17-5-11-23-28-12-13-29(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3
InChIKeyRJLFYSRAQQONTH-UHFFFAOYSA-N
XLogP4.89
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one 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 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one (CID 146737004) is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one is COc1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one?
The InChIKey is RJLFYSRAQQONTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O5S/c1-33-21-10-6-18(34-24(25,26)27)14-22(21)35(31,32)19-7-2-16(3-8-19)4-9-20(30)17-5-11-23-28-12-13-29(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3.
What are the key properties of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one?
1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one has a molecular weight of 504.49 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylphenyl]propan-1-one is sourced from PubChem (CID 146737004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).