1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

C190H182Cl9N41O26S — CID 160673227

IUPAC1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Cl)c2c(c1)OCCO2.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2ccccc2o1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2nccs2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc2c1OCO2.CCCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CC1C
InChIInChI=1S/C25H24ClN5O4.C25H28ClN5O3.C24H21ClN6O2S.C24H22ClN5O3.C24H26ClN5O3.C23H21Cl2N5O4.C23H20ClN5O3.C22H20ClN5O4/c1-16-13-29(25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18)10-11-30(16)24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22;1-17(2)15-34-22-9-4-6-19(12-22)24(32)30-11-10-29(14-18(30)3)25(33)23-27-16-31(28-23)21-8-5-7-20(26)13-21;1-16-14-29(24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20)9-10-30(16)23(32)18-5-2-4-17(12-18)22-26-8-11-34-22;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)33-20-9-4-3-8-19(20)21;1-3-12-33-21-9-4-6-18(13-21)23(31)29-11-10-28(15-17(29)2)24(32)22-26-16-30(27-22)20-8-5-7-19(25)14-20;1-14-12-28(23(32)21-26-13-30(27-21)17-4-2-3-16(24)11-17)5-6-29(14)22(31)15-9-18(25)20-19(10-15)33-7-8-34-20;1-15-13-27(23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18)9-10-28(15)22(30)20-11-16-5-2-3-8-19(16)32-20;1-14-11-26(22(30)20-24-12-28(25-20)16-5-2-4-15(23)10-16)8-9-27(14)21(29)17-6-3-7-18-19(17)32-13-31-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3;4-9,12-13,16-18H,10-11,14-15H2,1-3H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-15H,10-11,13H2,1-2H3;4-9,13-14,16-17H,3,10-12,15H2,1-2H3;2-4,9-11,13-14H,5-8,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-7,10,12,14H,8-9,11,13H2,1H3
InChIKeyRNEXNTCNGUFOGT-UHFFFAOYSA-N
MW3806.95 g/mol
LogP29.05
Rot. Bonds33

About 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 160673227) has the molecular formula C190H182Cl9N41O26S and a molecular weight of 3806.95 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID160673227
Molecular FormulaC190H182Cl9N41O26S
Molecular Weight3806.95 g/mol
Exact Mass3800.11
IUPAC Name1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Cl)c2c(c1)OCCO2.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2ccccc2o1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2nccs2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc2c1OCO2.CCCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CC1C
InChIInChI=1S/C25H24ClN5O4.C25H28ClN5O3.C24H21ClN6O2S.C24H22ClN5O3.C24H26ClN5O3.C23H21Cl2N5O4.C23H20ClN5O3.C22H20ClN5O4/c1-16-13-29(25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18)10-11-30(16)24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22;1-17(2)15-34-22-9-4-6-19(12-22)24(32)30-11-10-29(14-18(30)3)25(33)23-27-16-31(28-23)21-8-5-7-20(26)13-21;1-16-14-29(24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20)9-10-30(16)23(32)18-5-2-4-17(12-18)22-26-8-11-34-22;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)33-20-9-4-3-8-19(20)21;1-3-12-33-21-9-4-6-18(13-21)23(31)29-11-10-28(15-17(29)2)24(32)22-26-16-30(27-22)20-8-5-7-19(25)14-20;1-14-12-28(23(32)21-26-13-30(27-21)17-4-2-3-16(24)11-17)5-6-29(14)22(31)15-9-18(25)20-19(10-15)33-7-8-34-20;1-15-13-27(23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18)9-10-28(15)22(30)20-11-16-5-2-3-8-19(16)32-20;1-14-11-26(22(30)20-24-12-28(25-20)16-5-2-4-15(23)10-16)8-9-27(14)21(29)17-6-3-7-18-19(17)32-13-31-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3;4-9,12-13,16-18H,10-11,14-15H2,1-3H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-15H,10-11,13H2,1-2H3;4-9,13-14,16-17H,3,10-12,15H2,1-2H3;2-4,9-11,13-14H,5-8,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-7,10,12,14H,8-9,11,13H2,1H3
InChIKeyRNEXNTCNGUFOGT-UHFFFAOYSA-N
XLogP29.05
TPSA687.56 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds33
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003806.95
LogP ≤ 529.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-4-yl-[4-[2-(3-chlorophenyl)-1H-1,2,4-triazol-2-ium-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;1-[6-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-2-pyridinyl]ethanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-pyrrolidin-1-yl-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone
CID 157412869
(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
CID 160549934
CID 160549934

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 160673227) is 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is CC(C)COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Cl)c2c(c1)OCCO2.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc2ccccc2o1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(-c2nccs2)c1.CC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc2c1OCO2.CCCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)c1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CC1C.
What is the InChIKey of 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is RNEXNTCNGUFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4.C25H28ClN5O3.C24H21ClN6O2S.C24H22ClN5O3.C24H26ClN5O3.C23H21Cl2N5O4.C23H20ClN5O3.C22H20ClN5O4/c1-16-13-29(25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18)10-11-30(16)24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22;1-17(2)15-34-22-9-4-6-19(12-22)24(32)30-11-10-29(14-18(30)3)25(33)23-27-16-31(28-23)21-8-5-7-20(26)13-21;1-16-14-29(24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20)9-10-30(16)23(32)18-5-2-4-17(12-18)22-26-8-11-34-22;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)33-20-9-4-3-8-19(20)21;1-3-12-33-21-9-4-6-18(13-21)23(31)29-11-10-28(15-17(29)2)24(32)22-26-16-30(27-22)20-8-5-7-19(25)14-20;1-14-12-28(23(32)21-26-13-30(27-21)17-4-2-3-16(24)11-17)5-6-29(14)22(31)15-9-18(25)20-19(10-15)33-7-8-34-20;1-15-13-27(23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18)9-10-28(15)22(30)20-11-16-5-2-3-8-19(16)32-20;1-14-11-26(22(30)20-24-12-28(25-20)16-5-2-4-15(23)10-16)8-9-27(14)21(29)17-6-3-7-18-19(17)32-13-31-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3;4-9,12-13,16-18H,10-11,14-15H2,1-3H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-15H,10-11,13H2,1-2H3;4-9,13-14,16-17H,3,10-12,15H2,1-2H3;2-4,9-11,13-14H,5-8,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-7,10,12,14H,8-9,11,13H2,1H3.
What are the key properties of 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 3806.95 g/mol, XLogP of 29.05, 33 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 160673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).