3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

C24H26F5N5O — CID 164558091

IUPAC3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESCN(CC(F)F)c1cccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c1
InChIInChI=1S/C24H26F5N5O/c1-33(14-20(25)26)18-5-2-4-15(12-18)23(35)31-17-10-8-16(9-11-17)30-21-6-3-7-22-32-19(13-34(21)22)24(27,28)29/h2-7,12-13,16-17,20,30H,8-11,14H2,1H3,(H,31,35)
InChIKeyJEWXRFAFXSGKFU-UHFFFAOYSA-N
MW495.50 g/mol
LogP5.21
Rot. Bonds7

About 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (PubChem CID 164558091) has the molecular formula C24H26F5N5O and a molecular weight of 495.50 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
PubChem CID164558091
Molecular FormulaC24H26F5N5O
Molecular Weight495.50 g/mol
Exact Mass495.21
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESCN(CC(F)F)c1cccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c1
InChIInChI=1S/C24H26F5N5O/c1-33(14-20(25)26)18-5-2-4-15(12-18)23(35)31-17-10-8-16(9-11-17)30-21-6-3-7-22-32-19(13-34(21)22)24(27,28)29/h2-7,12-13,16-17,20,30H,8-11,14H2,1H3,(H,31,35)
InChIKeyJEWXRFAFXSGKFU-UHFFFAOYSA-N
XLogP5.21
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
CID 174069625
CID 174069625
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate
CID 166009025
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (CID 164558091) is 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is CN(CC(F)F)c1cccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c1.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The InChIKey is JEWXRFAFXSGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5N5O/c1-33(14-20(25)26)18-5-2-4-15(12-18)23(35)31-17-10-8-16(9-11-17)30-21-6-3-7-22-32-19(13-34(21)22)24(27,28)29/h2-7,12-13,16-17,20,30H,8-11,14H2,1H3,(H,31,35).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide has a molecular weight of 495.50 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 164558091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).