bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid

C160H197Cl5N26O30S — CID 163994945

IUPACbis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C4(C(=O)O)CCOCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(-c5cscn5)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)C)c4Cl)C[C@H]3C2)n1.Cc1cn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)nc1C(=O)O
InChIInChI=1S/C23H23ClN4O3S.2C23H28ClN3O5.C23H28ClN3O4.C23H28N4O5.C22H29ClN4O4.C22H29N5O4.CH4/c1-14(29)20-5-6-28(26-20)23(30)27-9-16-7-18(8-17(16)10-27)31-11-15-3-2-4-19(22(15)24)21-12-32-13-25-21;2*1-14(28)18-7-8-27(25-18)22(29)26-11-15-9-17(10-16(15)12-26)32-20-6-4-5-19(21(20)24)31-13-23(2,3)30;1-14(2)13-30-20-5-4-6-21(22(20)24)31-18-9-16-11-26(12-17(16)10-18)23(29)27-8-7-19(25-27)15(3)28;1-17(28)20-5-8-27(24-20)22(31)26-11-9-25(10-12-26)16-18-3-2-4-19(15-18)23(21(29)30)6-13-32-14-7-23;1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;1-16-4-3-5-18(20(16)25-10-12-31-13-11-25)15-24-6-8-26(9-7-24)22(30)27-14-17(2)19(23-27)21(28)29;/h2-6,12-13,16-18H,7-11H2,1H3;2*4-8,15-17,30H,9-13H2,1-3H3;4-8,14,16-18H,9-13H2,1-3H3;2-5,8,15H,6-7,9-14,16H2,1H3,(H,29,30);5-9,15,30H,10-14H2,1-4H3;3-5,14H,6-13,15H2,1-2H3,(H,28,29);1H4/t16-,17+,18?;2*15-,16+,17?;16-,17+,18?;;15-;;/m.....0../s1
InChIKeyUDWHPRPCMQIHBQ-BALLDSJYSA-N
MW3173.82 g/mol
LogP24.11
Rot. Bonds38

About bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid

bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid (PubChem CID 163994945) has the molecular formula C160H197Cl5N26O30S and a molecular weight of 3173.82 g/mol. Its IUPAC name is bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Namebis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
PubChem CID163994945
Molecular FormulaC160H197Cl5N26O30S
Molecular Weight3173.82 g/mol
Exact Mass3169.29
IUPAC Namebis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C4(C(=O)O)CCOCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(-c5cscn5)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)C)c4Cl)C[C@H]3C2)n1.Cc1cn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)nc1C(=O)O
InChIInChI=1S/C23H23ClN4O3S.2C23H28ClN3O5.C23H28ClN3O4.C23H28N4O5.C22H29ClN4O4.C22H29N5O4.CH4/c1-14(29)20-5-6-28(26-20)23(30)27-9-16-7-18(8-17(16)10-27)31-11-15-3-2-4-19(22(15)24)21-12-32-13-25-21;2*1-14(28)18-7-8-27(25-18)22(29)26-11-15-9-17(10-16(15)12-26)32-20-6-4-5-19(21(20)24)31-13-23(2,3)30;1-14(2)13-30-20-5-4-6-21(22(20)24)31-18-9-16-11-26(12-17(16)10-18)23(29)27-8-7-19(25-27)15(3)28;1-17(28)20-5-8-27(24-20)22(31)26-11-9-25(10-12-26)16-18-3-2-4-19(15-18)23(21(29)30)6-13-32-14-7-23;1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;1-16-4-3-5-18(20(16)25-10-12-31-13-11-25)15-24-6-8-26(9-7-24)22(30)27-14-17(2)19(23-27)21(28)29;/h2-6,12-13,16-18H,7-11H2,1H3;2*4-8,15-17,30H,9-13H2,1-3H3;4-8,14,16-18H,9-13H2,1-3H3;2-5,8,15H,6-7,9-14,16H2,1H3,(H,29,30);5-9,15,30H,10-14H2,1-4H3;3-5,14H,6-13,15H2,1-2H3,(H,28,29);1H4/t16-,17+,18?;2*15-,16+,17?;16-,17+,18?;;15-;;/m.....0../s1
InChIKeyUDWHPRPCMQIHBQ-BALLDSJYSA-N
XLogP24.11
TPSA622.77 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003173.82
LogP ≤ 524.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Analyze bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;1-[1-[(3aS,6aR)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163476395
1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163597843
1-[1-[(3aS,6aR)-5-(2-chloro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[2-chloro-3-(1,3-thiazol-4-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one
CID 163916236
CID 163970360
CID 163970360
1-[1-[(3aR,6aS)-5-(2-chloro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[2-chloro-3-(1,3-thiazol-4-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid
CID 158894477
bis(1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 159605255
bis(1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 161202107
bis(1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163835799
1-[1-[(3aS,6aR)-5-(2-chloro-3-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[2-chloro-3-(1,3-thiazol-4-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 163858873

Frequently Asked Questions

What is the IUPAC name of bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The IUPAC name of bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid (CID 163994945) is bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid is C.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C4(C(=O)O)CCOCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(-c5cscn5)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(OCC(C)C)c4Cl)C[C@H]3C2)n1.Cc1cn(C(=O)N2CCN(Cc3cccc(C)c3N3CCOCC3)CC2)nc1C(=O)O.
What is the InChIKey of bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The InChIKey is UDWHPRPCMQIHBQ-BALLDSJYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S.2C23H28ClN3O5.C23H28ClN3O4.C23H28N4O5.C22H29ClN4O4.C22H29N5O4.CH4/c1-14(29)20-5-6-28(26-20)23(30)27-9-16-7-18(8-17(16)10-27)31-11-15-3-2-4-19(22(15)24)21-12-32-13-25-21;2*1-14(28)18-7-8-27(25-18)22(29)26-11-15-9-17(10-16(15)12-26)32-20-6-4-5-19(21(20)24)31-13-23(2,3)30;1-14(2)13-30-20-5-4-6-21(22(20)24)31-18-9-16-11-26(12-17(16)10-18)23(29)27-8-7-19(25-27)15(3)28;1-17(28)20-5-8-27(24-20)22(31)26-11-9-25(10-12-26)16-18-3-2-4-19(15-18)23(21(29)30)6-13-32-14-7-23;1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;1-16-4-3-5-18(20(16)25-10-12-31-13-11-25)15-24-6-8-26(9-7-24)22(30)27-14-17(2)19(23-27)21(28)29;/h2-6,12-13,16-18H,7-11H2,1H3;2*4-8,15-17,30H,9-13H2,1-3H3;4-8,14,16-18H,9-13H2,1-3H3;2-5,8,15H,6-7,9-14,16H2,1H3,(H,29,30);5-9,15,30H,10-14H2,1-4H3;3-5,14H,6-13,15H2,1-2H3,(H,28,29);1H4/t16-,17+,18?;2*15-,16+,17?;16-,17+,18?;;15-;;/m.....0../s1.
What are the key properties of bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid has a molecular weight of 3173.82 g/mol, XLogP of 24.11, 38 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[1-[(3aR,6aS)-5-[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aS,6aR)-5-[2-chloro-3-(2-methylpropoxy)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-chloro-3-(1,3-thiazol-4-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[3-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]oxane-4-carboxylic acid;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;methane;4-methyl-1-[4-[(3-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 163994945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).