(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone

C168H157Cl9N38O17S2 — CID 159971239

IUPAC(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
SMILESCC1=C(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)Cc2ccc(C)cc21.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2c(Cl)cccc2s1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1ccc2ccn(C)c2c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2ccn(C)n2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1sc2ccccc2c1Cl.COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12
InChIInChI=1S/C26H26ClN5O2.C25H24ClN7O2.C24H23ClN6O2.C24H22ClN5O3.2C23H19Cl2N5O2S.C23H24ClN5O4/c1-16-7-8-19-12-23(18(3)22(19)11-16)25(33)31-10-9-30(14-17(31)2)26(34)24-28-15-32(29-24)21-6-4-5-20(27)13-21;1-17-15-31(25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21)11-12-32(17)24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22;1-16-14-29(24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20)10-11-30(16)23(32)18-7-6-17-8-9-28(2)21(17)12-18;1-15-13-28(24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18)10-11-29(15)23(31)21-16(2)19-8-3-4-9-20(19)33-21;1-14-12-28(23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16)8-9-29(14)22(31)20-11-17-18(25)6-3-7-19(17)33-20;1-14-12-28(23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16)9-10-29(14)22(31)20-19(25)17-7-2-3-8-18(17)33-20;1-15-13-27(23(31)21-25-14-29(26-21)18-6-4-5-17(24)11-18)7-8-28(15)22(30)16-9-19(32-2)12-20(10-16)33-3/h4-8,11,13,15,17H,9-10,12,14H2,1-3H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11,13-14H,9-10,12H2,1H3;4-6,9-12,14-15H,7-8,13H2,1-3H3
InChIKeyOEOMTFNUAZYUNE-UHFFFAOYSA-N
MW3363.56 g/mol
LogP27.08
Rot. Bonds24

About (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone

(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone (PubChem CID 159971239) has the molecular formula C168H157Cl9N38O17S2 and a molecular weight of 3363.56 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
PubChem CID159971239
Molecular FormulaC168H157Cl9N38O17S2
Molecular Weight3363.56 g/mol
Exact Mass3356.92
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
SMILESCC1=C(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)Cc2ccc(C)cc21.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2c(Cl)cccc2s1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1ccc2ccn(C)c2c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2ccn(C)n2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1sc2ccccc2c1Cl.COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12
InChIInChI=1S/C26H26ClN5O2.C25H24ClN7O2.C24H23ClN6O2.C24H22ClN5O3.2C23H19Cl2N5O2S.C23H24ClN5O4/c1-16-7-8-19-12-23(18(3)22(19)11-16)25(33)31-10-9-30(14-17(31)2)26(34)24-28-15-32(29-24)21-6-4-5-20(27)13-21;1-17-15-31(25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21)11-12-32(17)24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22;1-16-14-29(24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20)10-11-30(16)23(32)18-7-6-17-8-9-28(2)21(17)12-18;1-15-13-28(24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18)10-11-29(15)23(31)21-16(2)19-8-3-4-9-20(19)33-21;1-14-12-28(23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16)8-9-29(14)22(31)20-11-17-18(25)6-3-7-19(17)33-20;1-14-12-28(23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16)9-10-29(14)22(31)20-19(25)17-7-2-3-8-18(17)33-20;1-15-13-27(23(31)21-25-14-29(26-21)18-6-4-5-17(24)11-18)7-8-28(15)22(30)16-9-19(32-2)12-20(10-16)33-3/h4-8,11,13,15,17H,9-10,12,14H2,1-3H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11,13-14H,9-10,12H2,1H3;4-6,9-12,14-15H,7-8,13H2,1-3H3
InChIKeyOEOMTFNUAZYUNE-UHFFFAOYSA-N
XLogP27.08
TPSA553.66 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003363.56
LogP ≤ 527.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone with MolForge

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Related Compounds

CID 158127900
CID 158127900
(3-Chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 159123846
1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;(5-chloro-3-methyl-1-benzofuran-2-yl)-[(2R,6S)-2,6-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone;(4,5-dibromofuran-2-yl)-[3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[(2R,6S)-2,6-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone
CID 159783041
(3-Chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
CID 160732839
1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;(5-chloro-3-methyl-1-benzofuran-2-yl)-[(2S,6R)-2,6-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone;[(2S,6R)-2,6-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 160963897

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone (CID 159971239) is (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone is CC1=C(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)Cc2ccc(C)cc21.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2c(Cl)cccc2s1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1ccc2ccn(C)c2c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2ccn(C)n2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1sc2ccccc2c1Cl.COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone?
The InChIKey is OEOMTFNUAZYUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2.C25H24ClN7O2.C24H23ClN6O2.C24H22ClN5O3.2C23H19Cl2N5O2S.C23H24ClN5O4/c1-16-7-8-19-12-23(18(3)22(19)11-16)25(33)31-10-9-30(14-17(31)2)26(34)24-28-15-32(29-24)21-6-4-5-20(27)13-21;1-17-15-31(25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21)11-12-32(17)24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22;1-16-14-29(24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20)10-11-30(16)23(32)18-7-6-17-8-9-28(2)21(17)12-18;1-15-13-28(24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18)10-11-29(15)23(31)21-16(2)19-8-3-4-9-20(19)33-21;1-14-12-28(23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16)8-9-29(14)22(31)20-11-17-18(25)6-3-7-19(17)33-20;1-14-12-28(23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16)9-10-29(14)22(31)20-19(25)17-7-2-3-8-18(17)33-20;1-15-13-27(23(31)21-25-14-29(26-21)18-6-4-5-17(24)11-18)7-8-28(15)22(30)16-9-19(32-2)12-20(10-16)33-3/h4-8,11,13,15,17H,9-10,12,14H2,1-3H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11,13-14H,9-10,12H2,1H3;4-6,9-12,14-15H,7-8,13H2,1-3H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone?
(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone has a molecular weight of 3363.56 g/mol, XLogP of 27.08, 24 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 159971239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).