2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

C124H147ClF16N14O26 — CID 158187922

IUPAC2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESC#CCc1cnc(Oc2cc(C(=O)OC)c(N(C(=O)C3CCC(C)CC3)C(COC)COC)cc2F)c(C(F)(F)F)c1.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(CCl)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cn(COC(=O)C(C)(C)C)nn3)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cnn(C)n3)cc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C36H45F4N5O8.C30H35F4N5O6.C30H34F4N2O6.C28H33ClF4N2O6/c1-21-8-10-23(11-9-21)32(46)45(25(18-49-5)19-50-6)29-15-28(37)30(14-26(29)33(47)51-7)53-31-27(36(38,39)40)13-22(16-41-31)12-24-17-44(43-42-24)20-52-34(48)35(2,3)4;1-17-5-7-19(8-6-17)28(40)39(21(15-43-3)16-44-4)25-12-24(31)26(11-22(25)29(41)42)45-27-23(30(32,33)34)10-18(13-35-27)9-20-14-36-38(2)37-20;1-6-7-19-12-23(30(32,33)34)27(35-15-19)42-26-13-22(29(38)41-5)25(14-24(26)31)36(21(16-39-3)17-40-4)28(37)20-10-8-18(2)9-11-20;1-16-5-7-18(8-6-16)26(36)35(19(14-38-2)15-39-3)23-11-22(30)24(10-20(23)27(37)40-4)41-25-21(28(31,32)33)9-17(12-29)13-34-25/h13-17,21,23,25H,8-12,18-20H2,1-7H3;10-14,17,19,21H,5-9,15-16H2,1-4H3,(H,41,42);1,12-15,18,20-21H,7-11,16-17H2,2-5H3;9-11,13,16,18-19H,5-8,12,14-15H2,1-4H3
InChIKeyFZJJGPCQAZXLIO-UHFFFAOYSA-N
MW2589.03 g/mol
LogP23.83
Rot. Bonds48

About 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 158187922) has the molecular formula C124H147ClF16N14O26 and a molecular weight of 2589.03 g/mol. Its IUPAC name is 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Name2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
PubChem CID158187922
Molecular FormulaC124H147ClF16N14O26
Molecular Weight2589.03 g/mol
Exact Mass2587.00
IUPAC Name2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESC#CCc1cnc(Oc2cc(C(=O)OC)c(N(C(=O)C3CCC(C)CC3)C(COC)COC)cc2F)c(C(F)(F)F)c1.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(CCl)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cn(COC(=O)C(C)(C)C)nn3)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cnn(C)n3)cc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C36H45F4N5O8.C30H35F4N5O6.C30H34F4N2O6.C28H33ClF4N2O6/c1-21-8-10-23(11-9-21)32(46)45(25(18-49-5)19-50-6)29-15-28(37)30(14-26(29)33(47)51-7)53-31-27(36(38,39)40)13-22(16-41-31)12-24-17-44(43-42-24)20-52-34(48)35(2,3)4;1-17-5-7-19(8-6-17)28(40)39(21(15-43-3)16-44-4)25-12-24(31)26(11-22(25)29(41)42)45-27-23(30(32,33)34)10-18(13-35-27)9-20-14-36-38(2)37-20;1-6-7-19-12-23(30(32,33)34)27(35-15-19)42-26-13-22(29(38)41-5)25(14-24(26)31)36(21(16-39-3)17-40-4)28(37)20-10-8-18(2)9-11-20;1-16-5-7-18(8-6-16)26(36)35(19(14-38-2)15-39-3)23-11-22(30)24(10-20(23)27(37)40-4)41-25-21(28(31,32)33)9-17(12-29)13-34-25/h13-17,21,23,25H,8-12,18-20H2,1-7H3;10-14,17,19,21H,5-9,15-16H2,1-4H3,(H,41,42);1,12-15,18,20-21H,7-11,16-17H2,2-5H3;9-11,13,16,18-19H,5-8,12,14-15H2,1-4H3
InChIKeyFZJJGPCQAZXLIO-UHFFFAOYSA-N
XLogP23.83
TPSA447.48 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002589.03
LogP ≤ 523.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate with MolForge

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Related Compounds

4-fluoro-2-[[(1S)-2-methoxy-1-methyl-ethyl]-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid
CID 58115755
2-[1,3-Dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 44137963
2-[1,3-Dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[5-[(4-methyltriazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 44137966
2-[1,3-Dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[5-[1-(triazol-2-ylmethyl)cyclopropyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 58115686
2-[(5-Chloropyridine-2-carbonyl)-(1,3-dimethoxypropan-2-yl)amino]-4-fluoro-5-[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 58115787
5-[5-[(4-Cyclopropyltriazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 58115828
Methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-yl]oxy-4-fluorobenzoate
CID 58115881
2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-4-fluoro-5-[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 58115886
2-[1,3-Dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 58115889
2-[(5-chloropyridine-2-carbonyl)-[(3R)-oxolan-3-yl]amino]-4-fluoro-5-[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 59418635
Methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoate
CID 68188967
2-[(4-Bromo-2-fluorobenzoyl)-(1,3-dimethoxypropan-2-yl)amino]-4-fluoro-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;2-chloro-5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)pyridine;methyl 2-[(4-bromo-2-fluorobenzoyl)-(1,3-dimethoxypropan-2-yl)amino]-4-fluoro-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-(1,3-dimethoxypropan-2-ylamino)-4-fluoro-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-(1,3-dimethoxypropan-2-ylamino)-5-hydroxybenzoate
CID 157145406

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (CID 158187922) is 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is C#CCc1cnc(Oc2cc(C(=O)OC)c(N(C(=O)C3CCC(C)CC3)C(COC)COC)cc2F)c(C(F)(F)F)c1.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(CCl)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cn(COC(=O)C(C)(C)C)nn3)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cc3cnn(C)n3)cc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is FZJJGPCQAZXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45F4N5O8.C30H35F4N5O6.C30H34F4N2O6.C28H33ClF4N2O6/c1-21-8-10-23(11-9-21)32(46)45(25(18-49-5)19-50-6)29-15-28(37)30(14-26(29)33(47)51-7)53-31-27(36(38,39)40)13-22(16-41-31)12-24-17-44(43-42-24)20-52-34(48)35(2,3)4;1-17-5-7-19(8-6-17)28(40)39(21(15-43-3)16-44-4)25-12-24(31)26(11-22(25)29(41)42)45-27-23(30(32,33)34)10-18(13-35-27)9-20-14-36-38(2)37-20;1-6-7-19-12-23(30(32,33)34)27(35-15-19)42-26-13-22(29(38)41-5)25(14-24(26)31)36(21(16-39-3)17-40-4)28(37)20-10-8-18(2)9-11-20;1-16-5-7-18(8-6-16)26(36)35(19(14-38-2)15-39-3)23-11-22(30)24(10-20(23)27(37)40-4)41-25-21(28(31,32)33)9-17(12-29)13-34-25/h13-17,21,23,25H,8-12,18-20H2,1-7H3;10-14,17,19,21H,5-9,15-16H2,1-4H3,(H,41,42);1,12-15,18,20-21H,7-11,16-17H2,2-5H3;9-11,13,16,18-19H,5-8,12,14-15H2,1-4H3.
What are the key properties of 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 2589.03 g/mol, XLogP of 23.83, 48 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-[(2-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[[1-(2,2-dimethylpropanoyloxymethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluorobenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-prop-2-ynyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 158187922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).