(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C170H167Cl9FN41O18S — CID 162179323

IUPAC(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2c(Cl)nc3sccn23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cc3nccc(-c4ccccc4)n3n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2c(C)cccc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1Cl.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1F
InChIInChI=1S/C28H25ClN8O2.C26H26ClN5O4.C26H26ClN5O3.C23H23Cl2N5O2.C23H23ClFN5O2.C23H25ClN6O3.C21H19Cl2N7O2S/c1-28(2)17-34(13-14-35(28)27(39)25-31-18-36(33-25)21-10-6-9-20(29)15-21)26(38)22-16-24-30-12-11-23(37(24)32-22)19-7-4-3-5-8-19;1-16-19-9-6-10-20(35-4)22(19)36-21(16)24(33)30-11-12-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-8-5-7-17(27)13-18;1-16-7-5-10-20-17(2)22(35-21(16)20)24(33)30-11-12-31(26(3,4)14-30)25(34)23-28-15-32(29-23)19-9-6-8-18(27)13-19;2*1-15-11-16(7-8-19(15)25)21(31)28-9-10-29(23(2,3)13-28)22(32)20-26-14-30(27-20)18-6-4-5-17(24)12-18;1-4-33-19-10-6-9-18(26-19)21(31)28-11-12-29(23(2,3)14-28)22(32)20-25-15-30(27-20)17-8-5-7-16(24)13-17;1-21(2)11-27(18(31)15-16(23)25-20-28(15)8-9-33-20)6-7-29(21)19(32)17-24-12-30(26-17)14-5-3-4-13(22)10-14/h3-12,15-16,18H,13-14,17H2,1-2H3;5-10,13,15H,11-12,14H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;2*4-8,11-12,14H,9-10,13H2,1-3H3;5-10,13,15H,4,11-12,14H2,1-3H3;3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyZOUQTOQVXIJVAL-UHFFFAOYSA-N
MW3442.62 g/mol
LogP27.78
Rot. Bonds25

About (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 162179323) has the molecular formula C170H167Cl9FN41O18S and a molecular weight of 3442.62 g/mol. Its IUPAC name is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID162179323
Molecular FormulaC170H167Cl9FN41O18S
Molecular Weight3442.62 g/mol
Exact Mass3436.03
IUPAC Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2c(Cl)nc3sccn23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cc3nccc(-c4ccccc4)n3n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2c(C)cccc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1Cl.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1F
InChIInChI=1S/C28H25ClN8O2.C26H26ClN5O4.C26H26ClN5O3.C23H23Cl2N5O2.C23H23ClFN5O2.C23H25ClN6O3.C21H19Cl2N7O2S/c1-28(2)17-34(13-14-35(28)27(39)25-31-18-36(33-25)21-10-6-9-20(29)15-21)26(38)22-16-24-30-12-11-23(37(24)32-22)19-7-4-3-5-8-19;1-16-19-9-6-10-20(35-4)22(19)36-21(16)24(33)30-11-12-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-8-5-7-17(27)13-18;1-16-7-5-10-20-17(2)22(35-21(16)20)24(33)30-11-12-31(26(3,4)14-30)25(34)23-28-15-32(29-23)19-9-6-8-18(27)13-19;2*1-15-11-16(7-8-19(15)25)21(31)28-9-10-29(23(2,3)13-28)22(32)20-26-14-30(27-20)18-6-4-5-17(24)12-18;1-4-33-19-10-6-9-18(26-19)21(31)28-11-12-29(23(2,3)14-28)22(32)20-25-15-30(27-20)17-8-5-7-16(24)13-17;1-21(2)11-27(18(31)15-16(23)25-20-28(15)8-9-33-20)6-7-29(21)19(32)17-24-12-30(26-17)14-5-3-4-13(22)10-14/h3-12,15-16,18H,13-14,17H2,1-2H3;5-10,13,15H,11-12,14H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;2*4-8,11-12,14H,9-10,13H2,1-3H3;5-10,13,15H,4,11-12,14H2,1-3H3;3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyZOUQTOQVXIJVAL-UHFFFAOYSA-N
XLogP27.78
TPSA604.43 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds25
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003442.62
LogP ≤ 527.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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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
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 159240774

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 162179323) is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is CC1(C)CN(C(=O)c2c(Cl)nc3sccn23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cc3nccc(-c4ccccc4)n3n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2c(C)cccc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1Cl.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1F.
What is the InChIKey of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ZOUQTOQVXIJVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN8O2.C26H26ClN5O4.C26H26ClN5O3.C23H23Cl2N5O2.C23H23ClFN5O2.C23H25ClN6O3.C21H19Cl2N7O2S/c1-28(2)17-34(13-14-35(28)27(39)25-31-18-36(33-25)21-10-6-9-20(29)15-21)26(38)22-16-24-30-12-11-23(37(24)32-22)19-7-4-3-5-8-19;1-16-19-9-6-10-20(35-4)22(19)36-21(16)24(33)30-11-12-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-8-5-7-17(27)13-18;1-16-7-5-10-20-17(2)22(35-21(16)20)24(33)30-11-12-31(26(3,4)14-30)25(34)23-28-15-32(29-23)19-9-6-8-18(27)13-19;2*1-15-11-16(7-8-19(15)25)21(31)28-9-10-29(23(2,3)13-28)22(32)20-26-14-30(27-20)18-6-4-5-17(24)12-18;1-4-33-19-10-6-9-18(26-19)21(31)28-11-12-29(23(2,3)14-28)22(32)20-25-15-30(27-20)17-8-5-7-16(24)13-17;1-21(2)11-27(18(31)15-16(23)25-20-28(15)8-9-33-20)6-7-29(21)19(32)17-24-12-30(26-17)14-5-3-4-13(22)10-14/h3-12,15-16,18H,13-14,17H2,1-2H3;5-10,13,15H,11-12,14H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;2*4-8,11-12,14H,9-10,13H2,1-3H3;5-10,13,15H,4,11-12,14H2,1-3H3;3-5,8-10,12H,6-7,11H2,1-2H3.
What are the key properties of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 3442.62 g/mol, XLogP of 27.78, 25 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-3-methylphenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-ethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 162179323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).