Snx-5422
[4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate
Molecular Identity
Snx-5422
[4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate
PubChem CID: 44195571
2D Structure
Properties
C25H30F3N5O4
Molecular Formula
521.50
Molecular Weight
g/mol
521.2250
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
142
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
877
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)CIsomeric SMILES
SMILES: CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)CSynonyms(20)
908115-27-5SNX-5422PF-04929113PF-4929113SNX 5422PF-04929113 (SNX-5422)PF 04929113PF-04929113 free baseBF52J69Q8Ttrans-4-((2-Carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl 2-aminoacetatePF04929113(1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl glycinate[4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetateGlycine, trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl)phenyl)amino)cyclohexyl estertrans-4-([2-(Aminocarbonyl)-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl] phenyl]amino)cyclohexyl glycinate
Data from PubChem (NCBI)
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