bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone

C362H415Cl14F18N69O36 — CID 163645556

IUPACbis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C25H30F3N5O3.C24H26N4O3.C23H27F3N4O2.C22H24ClF3N4O2.2C22H27ClN4O2.C21H24Cl2N4O2.C21H22ClF3N4O2.C21H25ClN4O2.2C21H23F3N4O2.C21H26N4O2.2C20H22Cl2N4O2.2C20H23ClN4O2.C18H21ClN4O2/c1-18(34)22-4-7-33(29-22)23(35)32-9-6-24(17-32)5-8-30(16-24)15-19-2-3-20(14-21(19)25(26,27)28)31-10-12-36-13-11-31;1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(31)20-8-9-30(27-20)22(32)29-13-16-10-18(11-17(16)14-29)28(2)12-15-6-4-5-7-19(15)23(24,25)26;1-2-19(31)18-3-6-30(27-18)20(32)29-8-5-21(14-29)4-7-28(13-21)12-15-9-16(22(24,25)26)11-17(23)10-15;2*1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-14(30)18-2-5-29(26-18)19(31)28-7-4-20(13-28)3-6-27(12-20)11-15-8-16(21(23,24)25)10-17(22)9-15;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-15(29)18-5-8-28(25-18)19(30)27-10-7-20(14-27)6-9-26(13-20)12-16-3-2-4-17(11-16)21(22,23)24;1-2-19(29)18-6-7-28(25-18)20(30)27-12-15-10-26(11-16(15)13-27)9-14-4-3-5-17(8-14)21(22,23)24;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-2-19(27)18-5-6-26(23-18)20(28)25-11-14-9-24(10-15(14)12-25)8-13-7-16(21)3-4-17(13)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14;1-2-17(24)16-7-8-23(20-16)18(25)22-11-9-21(10-12-22)13-14-3-5-15(19)6-4-14/h2-4,7,14H,5-6,8-13,15-17H2,1H3;3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3,6,9-11H,2,4-5,7-8,12-14H2,1H3;2*4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;2,5,8-10H,3-4,6-7,11-13H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;2-5,8,11H,6-7,9-10,12-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;3-7,14-15H,2,8-12H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;3-8H,2,9-13H2,1H3/t;;16-,17+,18?;;2*16-,17+,18?;;;;;;;;;;;
InChIKeyIHXDYNLMQNQMRF-HEYQXWKLSA-N
MW7147.06 g/mol
LogP64.00
Rot. Bonds69

About bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone

bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163645556) has the molecular formula C362H415Cl14F18N69O36 and a molecular weight of 7147.06 g/mol. Its IUPAC name is bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Namebis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163645556
Molecular FormulaC362H415Cl14F18N69O36
Molecular Weight7147.06 g/mol
Exact Mass7135.81
IUPAC Namebis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C25H30F3N5O3.C24H26N4O3.C23H27F3N4O2.C22H24ClF3N4O2.2C22H27ClN4O2.C21H24Cl2N4O2.C21H22ClF3N4O2.C21H25ClN4O2.2C21H23F3N4O2.C21H26N4O2.2C20H22Cl2N4O2.2C20H23ClN4O2.C18H21ClN4O2/c1-18(34)22-4-7-33(29-22)23(35)32-9-6-24(17-32)5-8-30(16-24)15-19-2-3-20(14-21(19)25(26,27)28)31-10-12-36-13-11-31;1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(31)20-8-9-30(27-20)22(32)29-13-16-10-18(11-17(16)14-29)28(2)12-15-6-4-5-7-19(15)23(24,25)26;1-2-19(31)18-3-6-30(27-18)20(32)29-8-5-21(14-29)4-7-28(13-21)12-15-9-16(22(24,25)26)11-17(23)10-15;2*1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-14(30)18-2-5-29(26-18)19(31)28-7-4-20(13-28)3-6-27(12-20)11-15-8-16(21(23,24)25)10-17(22)9-15;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-15(29)18-5-8-28(25-18)19(30)27-10-7-20(14-27)6-9-26(13-20)12-16-3-2-4-17(11-16)21(22,23)24;1-2-19(29)18-6-7-28(25-18)20(30)27-12-15-10-26(11-16(15)13-27)9-14-4-3-5-17(8-14)21(22,23)24;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-2-19(27)18-5-6-26(23-18)20(28)25-11-14-9-24(10-15(14)12-25)8-13-7-16(21)3-4-17(13)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14;1-2-17(24)16-7-8-23(20-16)18(25)22-11-9-21(10-12-22)13-14-3-5-15(19)6-4-14/h2-4,7,14H,5-6,8-13,15-17H2,1H3;3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3,6,9-11H,2,4-5,7-8,12-14H2,1H3;2*4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;2,5,8-10H,3-4,6-7,11-13H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;2-5,8,11H,6-7,9-10,12-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;3-7,14-15H,2,8-12H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;3-8H,2,9-13H2,1H3/t;;16-,17+,18?;;2*16-,17+,18?;;;;;;;;;;;
InChIKeyIHXDYNLMQNQMRF-HEYQXWKLSA-N
XLogP64.00
TPSA1015.18 Ų
H-Bond Donors
H-Bond Acceptors88
Rotatable Bonds69
Heavy Atoms499
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007147.06
LogP ≤ 564.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1088

Analyze bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone (CID 163645556) is bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.
What is the InChIKey of bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is IHXDYNLMQNQMRF-HEYQXWKLSA-N. The full InChI is InChI=1S/C25H30F3N5O3.C24H26N4O3.C23H27F3N4O2.C22H24ClF3N4O2.2C22H27ClN4O2.C21H24Cl2N4O2.C21H22ClF3N4O2.C21H25ClN4O2.2C21H23F3N4O2.C21H26N4O2.2C20H22Cl2N4O2.2C20H23ClN4O2.C18H21ClN4O2/c1-18(34)22-4-7-33(29-22)23(35)32-9-6-24(17-32)5-8-30(16-24)15-19-2-3-20(14-21(19)25(26,27)28)31-10-12-36-13-11-31;1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(31)20-8-9-30(27-20)22(32)29-13-16-10-18(11-17(16)14-29)28(2)12-15-6-4-5-7-19(15)23(24,25)26;1-2-19(31)18-3-6-30(27-18)20(32)29-8-5-21(14-29)4-7-28(13-21)12-15-9-16(22(24,25)26)11-17(23)10-15;2*1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-14(30)18-2-5-29(26-18)19(31)28-7-4-20(13-28)3-6-27(12-20)11-15-8-16(21(23,24)25)10-17(22)9-15;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-15(29)18-5-8-28(25-18)19(30)27-10-7-20(14-27)6-9-26(13-20)12-16-3-2-4-17(11-16)21(22,23)24;1-2-19(29)18-6-7-28(25-18)20(30)27-12-15-10-26(11-16(15)13-27)9-14-4-3-5-17(8-14)21(22,23)24;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-2-19(27)18-5-6-26(23-18)20(28)25-11-14-9-24(10-15(14)12-25)8-13-7-16(21)3-4-17(13)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14;1-2-17(24)16-7-8-23(20-16)18(25)22-11-9-21(10-12-22)13-14-3-5-15(19)6-4-14/h2-4,7,14H,5-6,8-13,15-17H2,1H3;3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3,6,9-11H,2,4-5,7-8,12-14H2,1H3;2*4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;2,5,8-10H,3-4,6-7,11-13H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;2-5,8,11H,6-7,9-10,12-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;3-7,14-15H,2,8-12H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3;3-8H,2,9-13H2,1H3/t;;16-,17+,18?;;2*16-,17+,18?;;;;;;;;;;;.
What are the key properties of bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone?
bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 7147.06 g/mol, XLogP of 64.00, 69 rotatable bonds, 0 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one);1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163645556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).