2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate

C295H333Cl3F34IN47O52S9 — CID 167647575

IUPAC2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate
SMILESCC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)c2ccc(C(=O)O)cc2)CN1.CC1(C)C[C@H](CCC=NS(=O)C(C)(C)C)CN1C(=O)C(F)(F)F.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)CS(=O)C(C)(C)C)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Cc2cccc(S(N)(=O)=O)n2)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)cc1.COC(=O)c1ccc(C(N)CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)cc1.COC(=O)c1ccc(I)cc1.NS(=O)(=O)c1cccc(F)n1.O=C(O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C39H40ClF6N7O7S.C36H39ClF3N7O6S.3C36H38F3N7O6S.C25H30F3N3O5S.C24H34F3NO4S.C19H25F3N2O3.C16H14ClF3N2O3.C15H25F3N2O2S.C8H7IO2.C5H5FN2O2S/c1-36(2)21-23(22-52(36)35(56)38(41,42)43)7-13-27(24-8-10-25(11-9-24)34(55)59-3)47-28-5-4-6-31(48-28)61(57,58)51-33(54)26-12-14-29(49-32(26)40)53-19-15-30(50-53)60-20-18-37(16-17-37)39(44,45)46;1-34(2)20-22(21-41-34)6-12-26(23-7-9-24(10-8-23)33(49)50)42-27-4-3-5-30(43-27)54(51,52)46-32(48)25-11-13-28(44-31(25)37)47-18-14-29(45-47)53-19-17-35(15-16-35)36(38,39)40;3*1-34(2)20-22-6-12-26(23-7-9-24(10-8-23)33(48)49)40-27-4-3-5-30(41-27)53(50,51)44-32(47)25-11-13-28(42-31(25)45(34)21-22)46-18-14-29(43-46)52-19-17-35(15-16-35)36(37,38)39;1-24(2)14-16(15-31(24)23(33)25(26,27)28)7-8-19(17-9-11-18(12-10-17)22(32)36-3)13-20-5-4-6-21(30-20)37(29,34)35;1-22(2,3)33(31)15-19(17-9-11-18(12-10-17)20(29)32-6)8-7-16-13-23(4,5)28(14-16)21(30)24(25,26)27;1-18(2)10-12(11-24(18)17(26)19(20,21)22)4-9-15(23)13-5-7-14(8-6-13)16(25)27-3;17-12-9-10(1-2-11(12)14(23)24)22-7-3-13(21-22)25-8-6-15(4-5-15)16(18,19)20;1-13(2,3)23(22)19-8-6-7-11-9-14(4,5)20(10-11)12(21)15(16,17)18;1-11-8(10)6-2-4-7(9)5-3-6;6-4-2-1-3-5(8-4)11(7,9)10/h4-6,8-12,14-15,19,23,27H,7,13,16-18,20-22H2,1-3H3,(H,47,48)(H,51,54);3-5,7-11,13-14,18,22,26,41H,6,12,15-17,19-21H2,1-2H3,(H,42,43)(H,46,48)(H,49,50);3*3-5,7-11,13-14,18,22,26H,6,12,15-17,19-21H2,1-2H3,(H,40,41)(H,44,47)(H,48,49);4-6,9-12,16,19H,7-8,13-15H2,1-3H3,(H2,29,34,35);9-12,16,19H,7-8,13-15H2,1-6H3;5-8,12,15H,4,9-11,23H2,1-3H3;1-3,7,9H,4-6,8H2,(H,23,24);8,11H,6-7,9-10H2,1-5H3;2-5H,1H3;1-3H,(H2,7,9,10)/t23-,27?;4*22-,26?;16-,19?;16-,19?,33?;12-,15?;;11-,23?;;/m00000000.0../s1
InChIKeyQCILTHCBRXKFTC-NFRCJZDVSA-N
MW6536.98 g/mol
LogP54.55
Rot. Bonds83

About 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate

2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate (PubChem CID 167647575) has the molecular formula C295H333Cl3F34IN47O52S9 and a molecular weight of 6536.98 g/mol. Its IUPAC name is 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate.

Molecular Properties

Compound Name2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate
PubChem CID167647575
Molecular FormulaC295H333Cl3F34IN47O52S9
Molecular Weight6536.98 g/mol
Exact Mass6530.99
IUPAC Name2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate
SMILESCC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)c2ccc(C(=O)O)cc2)CN1.CC1(C)C[C@H](CCC=NS(=O)C(C)(C)C)CN1C(=O)C(F)(F)F.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)CS(=O)C(C)(C)C)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Cc2cccc(S(N)(=O)=O)n2)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)cc1.COC(=O)c1ccc(C(N)CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)cc1.COC(=O)c1ccc(I)cc1.NS(=O)(=O)c1cccc(F)n1.O=C(O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C39H40ClF6N7O7S.C36H39ClF3N7O6S.3C36H38F3N7O6S.C25H30F3N3O5S.C24H34F3NO4S.C19H25F3N2O3.C16H14ClF3N2O3.C15H25F3N2O2S.C8H7IO2.C5H5FN2O2S/c1-36(2)21-23(22-52(36)35(56)38(41,42)43)7-13-27(24-8-10-25(11-9-24)34(55)59-3)47-28-5-4-6-31(48-28)61(57,58)51-33(54)26-12-14-29(49-32(26)40)53-19-15-30(50-53)60-20-18-37(16-17-37)39(44,45)46;1-34(2)20-22(21-41-34)6-12-26(23-7-9-24(10-8-23)33(49)50)42-27-4-3-5-30(43-27)54(51,52)46-32(48)25-11-13-28(44-31(25)37)47-18-14-29(45-47)53-19-17-35(15-16-35)36(38,39)40;3*1-34(2)20-22-6-12-26(23-7-9-24(10-8-23)33(48)49)40-27-4-3-5-30(41-27)53(50,51)44-32(47)25-11-13-28(42-31(25)45(34)21-22)46-18-14-29(43-46)52-19-17-35(15-16-35)36(37,38)39;1-24(2)14-16(15-31(24)23(33)25(26,27)28)7-8-19(17-9-11-18(12-10-17)22(32)36-3)13-20-5-4-6-21(30-20)37(29,34)35;1-22(2,3)33(31)15-19(17-9-11-18(12-10-17)20(29)32-6)8-7-16-13-23(4,5)28(14-16)21(30)24(25,26)27;1-18(2)10-12(11-24(18)17(26)19(20,21)22)4-9-15(23)13-5-7-14(8-6-13)16(25)27-3;17-12-9-10(1-2-11(12)14(23)24)22-7-3-13(21-22)25-8-6-15(4-5-15)16(18,19)20;1-13(2,3)23(22)19-8-6-7-11-9-14(4,5)20(10-11)12(21)15(16,17)18;1-11-8(10)6-2-4-7(9)5-3-6;6-4-2-1-3-5(8-4)11(7,9)10/h4-6,8-12,14-15,19,23,27H,7,13,16-18,20-22H2,1-3H3,(H,47,48)(H,51,54);3-5,7-11,13-14,18,22,26,41H,6,12,15-17,19-21H2,1-2H3,(H,42,43)(H,46,48)(H,49,50);3*3-5,7-11,13-14,18,22,26H,6,12,15-17,19-21H2,1-2H3,(H,40,41)(H,44,47)(H,48,49);4-6,9-12,16,19H,7-8,13-15H2,1-3H3,(H2,29,34,35);9-12,16,19H,7-8,13-15H2,1-6H3;5-8,12,15H,4,9-11,23H2,1-3H3;1-3,7,9H,4-6,8H2,(H,23,24);8,11H,6-7,9-10H2,1-5H3;2-5H,1H3;1-3H,(H2,7,9,10)/t23-,27?;4*22-,26?;16-,19?;16-,19?,33?;12-,15?;;11-,23?;;/m00000000.0../s1
InChIKeyQCILTHCBRXKFTC-NFRCJZDVSA-N
XLogP54.55
TPSA1327.47 Ų
H-Bond Donors19
H-Bond Acceptors81
Rotatable Bonds83
Heavy Atoms441
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006536.98
LogP ≤ 554.55
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1081

Analyze 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate?
The IUPAC name of 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate (CID 167647575) is 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate.
What is the SMILES notation for 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate?
The canonical SMILES for 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate is CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@@H]2CCC(c3ccc(C(=O)O)cc3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2.CC1(C)C[C@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)c2ccc(C(=O)O)cc2)CN1.CC1(C)C[C@H](CCC=NS(=O)C(C)(C)C)CN1C(=O)C(F)(F)F.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)CS(=O)C(C)(C)C)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Cc2cccc(S(N)(=O)=O)n2)cc1.COC(=O)c1ccc(C(CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)Nc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3Cl)n2)cc1.COC(=O)c1ccc(C(N)CC[C@@H]2CN(C(=O)C(F)(F)F)C(C)(C)C2)cc1.COC(=O)c1ccc(I)cc1.NS(=O)(=O)c1cccc(F)n1.O=C(O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate?
The InChIKey is QCILTHCBRXKFTC-NFRCJZDVSA-N. The full InChI is InChI=1S/C39H40ClF6N7O7S.C36H39ClF3N7O6S.3C36H38F3N7O6S.C25H30F3N3O5S.C24H34F3NO4S.C19H25F3N2O3.C16H14ClF3N2O3.C15H25F3N2O2S.C8H7IO2.C5H5FN2O2S/c1-36(2)21-23(22-52(36)35(56)38(41,42)43)7-13-27(24-8-10-25(11-9-24)34(55)59-3)47-28-5-4-6-31(48-28)61(57,58)51-33(54)26-12-14-29(49-32(26)40)53-19-15-30(50-53)60-20-18-37(16-17-37)39(44,45)46;1-34(2)20-22(21-41-34)6-12-26(23-7-9-24(10-8-23)33(49)50)42-27-4-3-5-30(43-27)54(51,52)46-32(48)25-11-13-28(44-31(25)37)47-18-14-29(45-47)53-19-17-35(15-16-35)36(38,39)40;3*1-34(2)20-22-6-12-26(23-7-9-24(10-8-23)33(48)49)40-27-4-3-5-30(41-27)53(50,51)44-32(47)25-11-13-28(42-31(25)45(34)21-22)46-18-14-29(43-46)52-19-17-35(15-16-35)36(37,38)39;1-24(2)14-16(15-31(24)23(33)25(26,27)28)7-8-19(17-9-11-18(12-10-17)22(32)36-3)13-20-5-4-6-21(30-20)37(29,34)35;1-22(2,3)33(31)15-19(17-9-11-18(12-10-17)20(29)32-6)8-7-16-13-23(4,5)28(14-16)21(30)24(25,26)27;1-18(2)10-12(11-24(18)17(26)19(20,21)22)4-9-15(23)13-5-7-14(8-6-13)16(25)27-3;17-12-9-10(1-2-11(12)14(23)24)22-7-3-13(21-22)25-8-6-15(4-5-15)16(18,19)20;1-13(2,3)23(22)19-8-6-7-11-9-14(4,5)20(10-11)12(21)15(16,17)18;1-11-8(10)6-2-4-7(9)5-3-6;6-4-2-1-3-5(8-4)11(7,9)10/h4-6,8-12,14-15,19,23,27H,7,13,16-18,20-22H2,1-3H3,(H,47,48)(H,51,54);3-5,7-11,13-14,18,22,26,41H,6,12,15-17,19-21H2,1-2H3,(H,42,43)(H,46,48)(H,49,50);3*3-5,7-11,13-14,18,22,26H,6,12,15-17,19-21H2,1-2H3,(H,40,41)(H,44,47)(H,48,49);4-6,9-12,16,19H,7-8,13-15H2,1-3H3,(H2,29,34,35);9-12,16,19H,7-8,13-15H2,1-6H3;5-8,12,15H,4,9-11,23H2,1-3H3;1-3,7,9H,4-6,8H2,(H,23,24);8,11H,6-7,9-10H2,1-5H3;2-5H,1H3;1-3H,(H2,7,9,10)/t23-,27?;4*22-,26?;16-,19?;16-,19?,33?;12-,15?;;11-,23?;;/m00000000.0../s1.
What are the key properties of 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate?
2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate has a molecular weight of 6536.98 g/mol, XLogP of 54.55, 83 rotatable bonds, 19 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]benzoic acid;4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propyl]benzoic acid;N-[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propylidene]-2-methylpropane-2-sulfinamide;tris(4-[(14S)-12,12-dimethyl-2,2,4-trioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-17-yl]benzoic acid);6-fluoropyridine-2-sulfonamide;methyl 4-[1-amino-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[1-tert-butylsulfinyl-4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]butan-2-yl]benzoate;methyl 4-[1-[[6-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]-3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]propyl]benzoate;methyl 4-[4-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-(6-sulfamoyl-2-pyridinyl)butan-2-yl]benzoate;methyl 4-iodobenzoate is sourced from PubChem (CID 167647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).