3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

C151H165Cl5F9N11O29 — CID 158143206

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)C1.CC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)CC2)C1.Cc1ccc(-c2cnn(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)c2)cc1.Cc1ccc2c(c1)C(=O)CC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC1CCC(C(=O)NCc3ccc(C(F)(F)F)cn3)CC1)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2
InChIInChI=1S/C26H25ClN2O3.C25H32ClF2NO6.C25H30ClF2NO6.C25H26ClFN2O5.C25H24ClFN2O5.C25H28F3N3O4/c1-16-2-4-17(5-3-16)18-11-28-29(12-18)26-13-25(14-26,15-26)10-22(31)24-9-21(30)20-8-19(27)6-7-23(20)32-24;2*1-25(27,28)35-18-10-17(11-18)33-13-24(32)29-16-5-2-14(3-6-16)8-21(31)23-12-20(30)19-9-15(26)4-7-22(19)34-23;2*1-14-2-5-21-17(6-14)20(30)8-16(34-21)9-28-23(32)24-11-25(12-24,13-24)29-22(31)10-33-15-3-4-18(26)19(27)7-15;1-14-2-9-21-19(10-14)20(32)11-22(35-21)24(34)31-17-6-3-15(4-7-17)23(33)30-13-18-8-5-16(12-29-18)25(26,27)28/h2-8,11-12,21,24,30H,9-10,13-15H2,1H3;4,7,9,14,16-18,20,23,30H,2-3,5-6,8,10-13H2,1H3,(H,29,32);4,7,9,14,16-18,23H,2-3,5-6,8,10-13H2,1H3,(H,29,32);2-7,16,20,30H,8-13H2,1H3,(H,28,32)(H,29,31);2-7,16H,8-13H2,1H3,(H,28,32)(H,29,31);2,5,8-10,12,15,17,20,22,32H,3-4,6-7,11,13H2,1H3,(H,30,33)(H,31,34)/t21-,24-,25?,26?;14?,16?,17?,18?,20-,23-;14?,16?,17?,18?,23-;16-,20-,24?,25?;;15?,17?,20-,22-/m1111.1/s1
InChIKeyFUEUZXSLBPHWPA-BGJBNLITSA-N
MW2946.28 g/mol
LogP24.20
Rot. Bonds42

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 158143206) has the molecular formula C151H165Cl5F9N11O29 and a molecular weight of 2946.28 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID158143206
Molecular FormulaC151H165Cl5F9N11O29
Molecular Weight2946.28 g/mol
Exact Mass2942.01
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)C1.CC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)CC2)C1.Cc1ccc(-c2cnn(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)c2)cc1.Cc1ccc2c(c1)C(=O)CC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC1CCC(C(=O)NCc3ccc(C(F)(F)F)cn3)CC1)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2
InChIInChI=1S/C26H25ClN2O3.C25H32ClF2NO6.C25H30ClF2NO6.C25H26ClFN2O5.C25H24ClFN2O5.C25H28F3N3O4/c1-16-2-4-17(5-3-16)18-11-28-29(12-18)26-13-25(14-26,15-26)10-22(31)24-9-21(30)20-8-19(27)6-7-23(20)32-24;2*1-25(27,28)35-18-10-17(11-18)33-13-24(32)29-16-5-2-14(3-6-16)8-21(31)23-12-20(30)19-9-15(26)4-7-22(19)34-23;2*1-14-2-5-21-17(6-14)20(30)8-16(34-21)9-28-23(32)24-11-25(12-24,13-24)29-22(31)10-33-15-3-4-18(26)19(27)7-15;1-14-2-9-21-19(10-14)20(32)11-22(35-21)24(34)31-17-6-3-15(4-7-17)23(33)30-13-18-8-5-16(12-29-18)25(26,27)28/h2-8,11-12,21,24,30H,9-10,13-15H2,1H3;4,7,9,14,16-18,20,23,30H,2-3,5-6,8,10-13H2,1H3,(H,29,32);4,7,9,14,16-18,23H,2-3,5-6,8,10-13H2,1H3,(H,29,32);2-7,16,20,30H,8-13H2,1H3,(H,28,32)(H,29,31);2-7,16H,8-13H2,1H3,(H,28,32)(H,29,31);2,5,8-10,12,15,17,20,22,32H,3-4,6-7,11,13H2,1H3,(H,30,33)(H,31,34)/t21-,24-,25?,26?;14?,16?,17?,18?,20-,23-;14?,16?,17?,18?,23-;16-,20-,24?,25?;;15?,17?,20-,22-/m1111.1/s1
InChIKeyFUEUZXSLBPHWPA-BGJBNLITSA-N
XLogP24.20
TPSA540.54 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002946.28
LogP ≤ 524.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 158143206) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is CC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)C1.CC(F)(F)OC1CC(OCC(=O)NC2CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)CC2)C1.Cc1ccc(-c2cnn(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)c2)cc1.Cc1ccc2c(c1)C(=O)CC(CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC1CCC(C(=O)NCc3ccc(C(F)(F)F)cn3)CC1)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](CNC(=O)C13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is FUEUZXSLBPHWPA-BGJBNLITSA-N. The full InChI is InChI=1S/C26H25ClN2O3.C25H32ClF2NO6.C25H30ClF2NO6.C25H26ClFN2O5.C25H24ClFN2O5.C25H28F3N3O4/c1-16-2-4-17(5-3-16)18-11-28-29(12-18)26-13-25(14-26,15-26)10-22(31)24-9-21(30)20-8-19(27)6-7-23(20)32-24;2*1-25(27,28)35-18-10-17(11-18)33-13-24(32)29-16-5-2-14(3-6-16)8-21(31)23-12-20(30)19-9-15(26)4-7-22(19)34-23;2*1-14-2-5-21-17(6-14)20(30)8-16(34-21)9-28-23(32)24-11-25(12-24,13-24)29-22(31)10-33-15-3-4-18(26)19(27)7-15;1-14-2-9-21-19(10-14)20(32)11-22(35-21)24(34)31-17-6-3-15(4-7-17)23(33)30-13-18-8-5-16(12-29-18)25(26,27)28/h2-8,11-12,21,24,30H,9-10,13-15H2,1H3;4,7,9,14,16-18,20,23,30H,2-3,5-6,8,10-13H2,1H3,(H,29,32);4,7,9,14,16-18,23H,2-3,5-6,8,10-13H2,1H3,(H,29,32);2-7,16,20,30H,8-13H2,1H3,(H,28,32)(H,29,31);2-7,16H,8-13H2,1H3,(H,28,32)(H,29,31);2,5,8-10,12,15,17,20,22,32H,3-4,6-7,11,13H2,1H3,(H,30,33)(H,31,34)/t21-,24-,25?,26?;14?,16?,17?,18?,20-,23-;14?,16?,17?,18?,23-;16-,20-,24?,25?;;15?,17?,20-,22-/m1111.1/s1.
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 2946.28 g/mol, XLogP of 24.20, 42 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 158143206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).