2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide

C28H25ClF3N3O3S — CID 146550288

IUPAC2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(/C=C/c2c(Cl)cccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12
InChIInChI=1S/C28H25ClF3N3O3S/c1-3-25-24(13-12-21-22(28(30,31)32)6-5-7-23(21)29)34-26-16-19(14-15-35(25)26)27(36)33-17-18-8-10-20(11-9-18)39(37,38)4-2/h5-16H,3-4,17H2,1-2H3,(H,33,36)/b13-12+
InChIKeyOENHWCCDDVXSLQ-OUKQBFOZSA-N
MW576.04 g/mol
LogP6.46
Rot. Bonds8

About 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide

2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 146550288) has the molecular formula C28H25ClF3N3O3S and a molecular weight of 576.04 g/mol. Its IUPAC name is 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID146550288
Molecular FormulaC28H25ClF3N3O3S
Molecular Weight576.04 g/mol
Exact Mass575.13
IUPAC Name2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCCc1c(/C=C/c2c(Cl)cccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12
InChIInChI=1S/C28H25ClF3N3O3S/c1-3-25-24(13-12-21-22(28(30,31)32)6-5-7-23(21)29)34-26-16-19(14-15-35(25)26)27(36)33-17-18-8-10-20(11-9-18)39(37,38)4-2/h5-16H,3-4,17H2,1-2H3,(H,33,36)/b13-12+
InChIKeyOENHWCCDDVXSLQ-OUKQBFOZSA-N
XLogP6.46
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.04
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide 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 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 146550288) is 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is CCc1c(/C=C/c2c(Cl)cccc2C(F)(F)F)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccn12.
What is the InChIKey of 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is OENHWCCDDVXSLQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C28H25ClF3N3O3S/c1-3-25-24(13-12-21-22(28(30,31)32)6-5-7-23(21)29)34-26-16-19(14-15-35(25)26)27(36)33-17-18-8-10-20(11-9-18)39(37,38)4-2/h5-16H,3-4,17H2,1-2H3,(H,33,36)/b13-12+.
What are the key properties of 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 576.04 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]ethenyl]-3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 146550288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).