2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide

C24H18ClF6N5O — CID 167142197

IUPAC2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESCN(CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)(F)F)cn34)cc2)c(Cl)c1
InChIInChI=1S/C24H18ClF6N5O/c1-35(13-23(26,27)28)16-9-10-17(18(25)11-16)22(37)33-15-7-5-14(6-8-15)32-20-3-2-4-21-34-19(12-36(20)21)24(29,30)31/h2-12,32H,13H2,1H3,(H,33,37)
InChIKeyPOTSPOINOYYHIW-UHFFFAOYSA-N
MW541.88 g/mol
LogP7.00
Rot. Bonds6

About 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide

2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (PubChem CID 167142197) has the molecular formula C24H18ClF6N5O and a molecular weight of 541.88 g/mol. Its IUPAC name is 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
PubChem CID167142197
Molecular FormulaC24H18ClF6N5O
Molecular Weight541.88 g/mol
Exact Mass541.11
IUPAC Name2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESCN(CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)(F)F)cn34)cc2)c(Cl)c1
InChIInChI=1S/C24H18ClF6N5O/c1-35(13-23(26,27)28)16-9-10-17(18(25)11-16)22(37)33-15-7-5-14(6-8-15)32-20-3-2-4-21-34-19(12-36(20)21)24(29,30)31/h2-12,32H,13H2,1H3,(H,33,37)
InChIKeyPOTSPOINOYYHIW-UHFFFAOYSA-N
XLogP7.00
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.88
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167141625
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
CID 167142286
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]pyridine-3-carboxamide
CID 167141634
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 167141708
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
CID 164558005
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
CID 164558054
3-(methylsulfanylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohept-4-en-1-yl]benzamide
CID 164558131
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
N-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 118112949
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (CID 167142197) is 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is CN(CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)(F)F)cn34)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The InChIKey is POTSPOINOYYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF6N5O/c1-35(13-23(26,27)28)16-9-10-17(18(25)11-16)22(37)33-15-7-5-14(6-8-15)32-20-3-2-4-21-34-19(12-36(20)21)24(29,30)31/h2-12,32H,13H2,1H3,(H,33,37).
What are the key properties of 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide has a molecular weight of 541.88 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is sourced from PubChem (CID 167142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).