1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C330H391Cl7F11N65O32S — CID 163750101

IUPAC1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(CCc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc(Cl)ccc4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccc5)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(NCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(C)cc(Cl)c4)CC3C2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3ccc(N4CCCC4)cc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C27H29ClN4O2.C26H27ClN4O3.C25H34N4O2.C24H26ClN5O2S.3C24H33N5O2.2C23H22F3N5O3.2C23H30FN5O2.C22H25ClF3N5O2.C22H25ClN4O3.C20H22Cl2N4O2/c1-20(33)24-10-14-32(29-24)26(34)31-16-12-27(13-17-31)11-15-30(19-27)18-22-8-5-9-23(25(22)28)21-6-3-2-4-7-21;1-17(32)25-10-11-31(29-25)26(33)30-15-19-12-22(13-20(19)16-30)28-14-18-2-6-23(7-3-18)34-24-8-4-21(27)5-9-24;1-19-6-7-21(23(18-19)27-13-4-5-14-27)8-10-25(3)11-16-28(17-12-25)24(31)29-15-9-22(26-29)20(2)30;1-17(31)21-4-9-30(27-21)23(32)29-11-6-24(7-12-29)5-10-28(16-24)15-18-2-3-20(25)19(14-18)22-26-8-13-33-22;1-18-6-7-20(22(16-18)27-11-5-12-27)17-26(4)24(3)9-14-28(15-10-24)23(31)29-13-8-21(25-29)19(2)30;2*1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;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)34-21-5-7-27-14-19(21)23(24,25)26;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)34-19-5-7-27-21(14-19)23(24,25)26;2*1-16-4-5-19(22(12-16)27-8-6-20(24)15-27)14-26-10-11-28(17(2)13-26)23(31)29-9-7-21(25-29)18(3)30;1-15(32)20-19(23)14-31(27-20)21(33)30-10-8-28(9-11-30)13-16-4-5-17(29-6-2-3-7-29)12-18(16)22(24,25)26;1-15-3-4-17(23)13-18(15)20(29)26-12-8-22(14-26)6-10-25(11-7-22)21(30)27-9-5-19(24-27)16(2)28;1-12-3-14(5-17(21)4-12)6-24-7-15-9-25(10-16(15)8-24)20(28)26-11-18(22)19(23-26)13(2)27/h2-10,14H,11-13,15-19H2,1H3;2-11,19-20,22,28H,12-16H2,1H3;6-7,9,15,18H,4-5,8,10-14,16-17H2,1-3H3;2-4,8-9,13-14H,5-7,10-12,15-16H2,1H3;6-8,13,16H,5,9-12,14-15,17H2,1-4H3;2*5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2*2-8,13-14H,9-12,15H2,1H3;2*4-5,7,9,12,17,20H,6,8,10-11,13-15H2,1-3H3;4-5,12,14H,2-3,6-11,13H2,1H3;3-5,9,13H,6-8,10-12,14H2,1-2H3;3-5,11,15-16H,6-10H2,1-2H3/t;19-,20+,22?;;;;2*18-,19-;;;17-,20+;17-,20-;;;/m.....10..10.../s1
InChIKeyLPGHEFQWIWBRJZ-RGRLXTQASA-N
MW6269.40 g/mol
LogP56.46
Rot. Bonds59

About 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163750101) has the molecular formula C330H391Cl7F11N65O32S and a molecular weight of 6269.40 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163750101
Molecular FormulaC330H391Cl7F11N65O32S
Molecular Weight6269.40 g/mol
Exact Mass6261.83
IUPAC Name1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(CCc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc(Cl)ccc4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccc5)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(NCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(C)cc(Cl)c4)CC3C2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3ccc(N4CCCC4)cc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C27H29ClN4O2.C26H27ClN4O3.C25H34N4O2.C24H26ClN5O2S.3C24H33N5O2.2C23H22F3N5O3.2C23H30FN5O2.C22H25ClF3N5O2.C22H25ClN4O3.C20H22Cl2N4O2/c1-20(33)24-10-14-32(29-24)26(34)31-16-12-27(13-17-31)11-15-30(19-27)18-22-8-5-9-23(25(22)28)21-6-3-2-4-7-21;1-17(32)25-10-11-31(29-25)26(33)30-15-19-12-22(13-20(19)16-30)28-14-18-2-6-23(7-3-18)34-24-8-4-21(27)5-9-24;1-19-6-7-21(23(18-19)27-13-4-5-14-27)8-10-25(3)11-16-28(17-12-25)24(31)29-15-9-22(26-29)20(2)30;1-17(31)21-4-9-30(27-21)23(32)29-11-6-24(7-12-29)5-10-28(16-24)15-18-2-3-20(25)19(14-18)22-26-8-13-33-22;1-18-6-7-20(22(16-18)27-11-5-12-27)17-26(4)24(3)9-14-28(15-10-24)23(31)29-13-8-21(25-29)19(2)30;2*1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;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)34-21-5-7-27-14-19(21)23(24,25)26;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)34-19-5-7-27-21(14-19)23(24,25)26;2*1-16-4-5-19(22(12-16)27-8-6-20(24)15-27)14-26-10-11-28(17(2)13-26)23(31)29-9-7-21(25-29)18(3)30;1-15(32)20-19(23)14-31(27-20)21(33)30-10-8-28(9-11-30)13-16-4-5-17(29-6-2-3-7-29)12-18(16)22(24,25)26;1-15-3-4-17(23)13-18(15)20(29)26-12-8-22(14-26)6-10-25(11-7-22)21(30)27-9-5-19(24-27)16(2)28;1-12-3-14(5-17(21)4-12)6-24-7-15-9-25(10-16(15)8-24)20(28)26-11-18(22)19(23-26)13(2)27/h2-10,14H,11-13,15-19H2,1H3;2-11,19-20,22,28H,12-16H2,1H3;6-7,9,15,18H,4-5,8,10-14,16-17H2,1-3H3;2-4,8-9,13-14H,5-7,10-12,15-16H2,1H3;6-8,13,16H,5,9-12,14-15,17H2,1-4H3;2*5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2*2-8,13-14H,9-12,15H2,1H3;2*4-5,7,9,12,17,20H,6,8,10-11,13-15H2,1-3H3;4-5,12,14H,2-3,6-11,13H2,1H3;3-5,9,13H,6-8,10-12,14H2,1-2H3;3-5,11,15-16H,6-10H2,1-2H3/t;19-,20+,22?;;;;2*18-,19-;;;17-,20+;17-,20-;;;/m.....10..10.../s1
InChIKeyLPGHEFQWIWBRJZ-RGRLXTQASA-N
XLogP56.46
TPSA929.82 Ų
H-Bond Donors1
H-Bond Acceptors83
Rotatable Bonds59
Heavy Atoms446
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006269.40
LogP ≤ 556.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1083

Analyze 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-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-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163750101) is 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(CCc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc(Cl)ccc4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccc5)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(NCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(C)cc(Cl)c4)CC3C2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3ccc(N4CCCC4)cc3C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is LPGHEFQWIWBRJZ-RGRLXTQASA-N. The full InChI is InChI=1S/C27H29ClN4O2.C26H27ClN4O3.C25H34N4O2.C24H26ClN5O2S.3C24H33N5O2.2C23H22F3N5O3.2C23H30FN5O2.C22H25ClF3N5O2.C22H25ClN4O3.C20H22Cl2N4O2/c1-20(33)24-10-14-32(29-24)26(34)31-16-12-27(13-17-31)11-15-30(19-27)18-22-8-5-9-23(25(22)28)21-6-3-2-4-7-21;1-17(32)25-10-11-31(29-25)26(33)30-15-19-12-22(13-20(19)16-30)28-14-18-2-6-23(7-3-18)34-24-8-4-21(27)5-9-24;1-19-6-7-21(23(18-19)27-13-4-5-14-27)8-10-25(3)11-16-28(17-12-25)24(31)29-15-9-22(26-29)20(2)30;1-17(31)21-4-9-30(27-21)23(32)29-11-6-24(7-12-29)5-10-28(16-24)15-18-2-3-20(25)19(14-18)22-26-8-13-33-22;1-18-6-7-20(22(16-18)27-11-5-12-27)17-26(4)24(3)9-14-28(15-10-24)23(31)29-13-8-21(25-29)19(2)30;2*1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;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)34-21-5-7-27-14-19(21)23(24,25)26;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)34-19-5-7-27-21(14-19)23(24,25)26;2*1-16-4-5-19(22(12-16)27-8-6-20(24)15-27)14-26-10-11-28(17(2)13-26)23(31)29-9-7-21(25-29)18(3)30;1-15(32)20-19(23)14-31(27-20)21(33)30-10-8-28(9-11-30)13-16-4-5-17(29-6-2-3-7-29)12-18(16)22(24,25)26;1-15-3-4-17(23)13-18(15)20(29)26-12-8-22(14-26)6-10-25(11-7-22)21(30)27-9-5-19(24-27)16(2)28;1-12-3-14(5-17(21)4-12)6-24-7-15-9-25(10-16(15)8-24)20(28)26-11-18(22)19(23-26)13(2)27/h2-10,14H,11-13,15-19H2,1H3;2-11,19-20,22,28H,12-16H2,1H3;6-7,9,15,18H,4-5,8,10-14,16-17H2,1-3H3;2-4,8-9,13-14H,5-7,10-12,15-16H2,1H3;6-8,13,16H,5,9-12,14-15,17H2,1-4H3;2*5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2*2-8,13-14H,9-12,15H2,1H3;2*4-5,7,9,12,17,20H,6,8,10-11,13-15H2,1-3H3;4-5,12,14H,2-3,6-11,13H2,1H3;3-5,9,13H,6-8,10-12,14H2,1-2H3;3-5,11,15-16H,6-10H2,1-2H3/t;19-,20+,22?;;;;2*18-,19-;;;17-,20+;17-,20-;;;/m.....10..10.../s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 6269.40 g/mol, XLogP of 56.46, 59 rotatable bonds, 1 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-3-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[2-(4-methyl-2-pyrrolidin-1-ylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163750101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).