1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C378H416Cl12F11N69O42S — CID 163547248

IUPAC1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C(F)(F)F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)nc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(C)n4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)cc1Cl
InChIInChI=1S/3C25H32ClN5O2.C25H25F3N4O2.5C24H24ClFN4O3.C23H23ClN4O3S.C23H22F3N5O3.2C23H25N5O3.2C22H27ClN4O2.C22H26ClN3O3/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-17-15-30(12-13-31(17)24(34)32-11-10-23(29-32)18(2)33)16-21-9-8-20(14-22(21)25(26,27)28)19-6-4-3-5-7-19;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-22(27-30)17(2)31)15-18-11-19(26)13-20(12-18)33-23-6-4-3-5-21(23)25;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-18(13-17)34-21-14-27-7-5-19(21)23(24,25)26;1-17-5-3-8-22(24-17)31-20-7-4-6-19(15-20)16-26-11-13-27(14-12-26)23(30)28-10-9-21(25-28)18(2)29;1-17-6-7-21(15-24-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-22(25-28)18(2)29;1-16-18(4-3-5-19(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-20(24-27)17(2)28;1-16-4-3-5-18(20(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-19(24-27)17(2)28;1-13-5-4-6-16(14(13)2)12-29-19-7-17-9-25(10-18(17)8-19)22(28)26-11-20(23)21(24-26)15(3)27/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-11,14,17H,12-13,15-16H2,1-2H3;3-6,11-14H,7-10,15H2,1-2H3;4*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3;2-8,13-14H,9-12,15H2,1H3;3-10,15H,11-14,16H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2*3-6,10H,7-9,11-15H2,1-2H3;4-6,11,17-19H,7-10,12H2,1-3H3/t;;;17-;;4*16-;16-,17+,18?;;;;;;17-,18+,19?/m...1.1010......./s1
InChIKeyFGCDFMAKAUHREG-VUFGUMIYSA-N
MW7264.41 g/mol
LogP69.95
Rot. Bonds71

About 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163547248) has the molecular formula C378H416Cl12F11N69O42S and a molecular weight of 7264.41 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163547248
Molecular FormulaC378H416Cl12F11N69O42S
Molecular Weight7264.41 g/mol
Exact Mass7253.83
IUPAC Name1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C(F)(F)F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)nc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(C)n4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)cc1Cl
InChIInChI=1S/3C25H32ClN5O2.C25H25F3N4O2.5C24H24ClFN4O3.C23H23ClN4O3S.C23H22F3N5O3.2C23H25N5O3.2C22H27ClN4O2.C22H26ClN3O3/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-17-15-30(12-13-31(17)24(34)32-11-10-23(29-32)18(2)33)16-21-9-8-20(14-22(21)25(26,27)28)19-6-4-3-5-7-19;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-22(27-30)17(2)31)15-18-11-19(26)13-20(12-18)33-23-6-4-3-5-21(23)25;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-18(13-17)34-21-14-27-7-5-19(21)23(24,25)26;1-17-5-3-8-22(24-17)31-20-7-4-6-19(15-20)16-26-11-13-27(14-12-26)23(30)28-10-9-21(25-28)18(2)29;1-17-6-7-21(15-24-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-22(25-28)18(2)29;1-16-18(4-3-5-19(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-20(24-27)17(2)28;1-16-4-3-5-18(20(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-19(24-27)17(2)28;1-13-5-4-6-16(14(13)2)12-29-19-7-17-9-25(10-18(17)8-19)22(28)26-11-20(23)21(24-26)15(3)27/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-11,14,17H,12-13,15-16H2,1-2H3;3-6,11-14H,7-10,15H2,1-2H3;4*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3;2-8,13-14H,9-12,15H2,1H3;3-10,15H,11-14,16H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2*3-6,10H,7-9,11-15H2,1-2H3;4-6,11,17-19H,7-10,12H2,1-3H3/t;;;17-;;4*16-;16-,17+,18?;;;;;;17-,18+,19?/m...1.1010......./s1
InChIKeyFGCDFMAKAUHREG-VUFGUMIYSA-N
XLogP69.95
TPSA1082.14 Ų
H-Bond Donors
H-Bond Acceptors96
Rotatable Bonds71
Heavy Atoms513
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007264.41
LogP ≤ 569.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1096

Analyze 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163547248) is 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccccc4Cl)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C(F)(F)F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)nc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccc(C)n4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)cc1Cl.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is FGCDFMAKAUHREG-VUFGUMIYSA-N. The full InChI is InChI=1S/3C25H32ClN5O2.C25H25F3N4O2.5C24H24ClFN4O3.C23H23ClN4O3S.C23H22F3N5O3.2C23H25N5O3.2C22H27ClN4O2.C22H26ClN3O3/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-17-15-30(12-13-31(17)24(34)32-11-10-23(29-32)18(2)33)16-21-9-8-20(14-22(21)25(26,27)28)19-6-4-3-5-7-19;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-22(27-30)17(2)31)15-18-11-19(26)13-20(12-18)33-23-6-4-3-5-21(23)25;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-18(13-17)34-21-14-27-7-5-19(21)23(24,25)26;1-17-5-3-8-22(24-17)31-20-7-4-6-19(15-20)16-26-11-13-27(14-12-26)23(30)28-10-9-21(25-28)18(2)29;1-17-6-7-21(15-24-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-22(25-28)18(2)29;1-16-18(4-3-5-19(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-20(24-27)17(2)28;1-16-4-3-5-18(20(16)23)14-25-11-7-22(15-25)8-12-26(13-9-22)21(29)27-10-6-19(24-27)17(2)28;1-13-5-4-6-16(14(13)2)12-29-19-7-17-9-25(10-18(17)8-19)22(28)26-11-20(23)21(24-26)15(3)27/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-11,14,17H,12-13,15-16H2,1-2H3;3-6,11-14H,7-10,15H2,1-2H3;4*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3;2-8,13-14H,9-12,15H2,1H3;3-10,15H,11-14,16H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2*3-6,10H,7-9,11-15H2,1-2H3;4-6,11,17-19H,7-10,12H2,1-3H3/t;;;17-;;4*16-;16-,17+,18?;;;;;;17-,18+,19?/m...1.1010......./s1.
What are the key properties of 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 7264.41 g/mol, XLogP of 69.95, 71 rotatable bonds, 0 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-phenyl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163547248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).