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

C162H158Br2Cl5N39O19S — CID 159783041

IUPAC1-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
SMILESCC1CN(C(=O)c2cc3c(Cl)cccc3s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3ccn(C)n3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)C2)n1.COc1cccc(C(=O)N2[C@H](C)CN(C(=O)c3ncn(-c4cccc(C)c4)n3)C[C@@H]2C)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3C[C@@H](C)N(C(=O)c4oc5ccc(Cl)cc5c4C)[C@@H](C)C3)n2)c1
InChIInChI=1S/C26H26ClN5O3.C25H24ClN7O2.C23H19Cl2N5O2S.C23H20ClN5O3.C23H26N6O3.C22H24N6O3.C20H19Br2N5O3/c1-15-6-5-7-20(10-15)31-14-28-24(29-31)26(34)30-12-16(2)32(17(3)13-30)25(33)23-18(4)21-11-19(27)8-9-22(21)35-23;1-17-15-31(24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22)11-12-32(17)25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21;1-14-12-28(22(31)20-11-17-18(25)6-3-7-19(17)33-20)8-9-29(14)23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16;1-15-13-27(22(30)20-11-16-5-2-3-8-19(16)32-20)9-10-28(15)23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18;1-15-7-5-8-18(11-15)28-14-24-21(26-28)23(31)27-12-16(2)29(17(3)13-27)22(30)19-9-6-10-20(25-19)32-4;1-15-6-4-7-17(12-15)28-14-23-20(25-28)22(30)27-11-10-26(13-16(27)2)21(29)18-8-5-9-19(24-18)31-3;1-12-4-3-5-14(8-12)27-11-23-18(24-27)20(29)26-7-6-25(10-13(26)2)19(28)16-9-15(21)17(22)30-16/h5-11,14,16-17H,12-13H2,1-4H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;5-11,14,16-17H,12-13H2,1-4H3;4-9,12,14,16H,10-11,13H2,1-3H3;3-5,8-9,11,13H,6-7,10H2,1-2H3/t16-,17+;;;;16-,17+;;
InChIKeyNHPKCOPBKACYIN-GGLUQYKQSA-N
MW3324.44 g/mol
LogP24.40
Rot. Bonds24

About 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

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 (PubChem CID 159783041) has the molecular formula C162H158Br2Cl5N39O19S and a molecular weight of 3324.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159783041
Molecular FormulaC162H158Br2Cl5N39O19S
Molecular Weight3324.44 g/mol
Exact Mass3317.91
IUPAC Name1-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
SMILESCC1CN(C(=O)c2cc3c(Cl)cccc3s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3ccn(C)n3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)C2)n1.COc1cccc(C(=O)N2[C@H](C)CN(C(=O)c3ncn(-c4cccc(C)c4)n3)C[C@@H]2C)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3C[C@@H](C)N(C(=O)c4oc5ccc(Cl)cc5c4C)[C@@H](C)C3)n2)c1
InChIInChI=1S/C26H26ClN5O3.C25H24ClN7O2.C23H19Cl2N5O2S.C23H20ClN5O3.C23H26N6O3.C22H24N6O3.C20H19Br2N5O3/c1-15-6-5-7-20(10-15)31-14-28-24(29-31)26(34)30-12-16(2)32(17(3)13-30)25(33)23-18(4)21-11-19(27)8-9-22(21)35-23;1-17-15-31(24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22)11-12-32(17)25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21;1-14-12-28(22(31)20-11-17-18(25)6-3-7-19(17)33-20)8-9-29(14)23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16;1-15-13-27(22(30)20-11-16-5-2-3-8-19(16)32-20)9-10-28(15)23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18;1-15-7-5-8-18(11-15)28-14-24-21(26-28)23(31)27-12-16(2)29(17(3)13-27)22(30)19-9-6-10-20(25-19)32-4;1-15-6-4-7-17(12-15)28-14-23-20(25-28)22(30)27-11-10-26(13-16(27)2)21(29)18-8-5-9-19(24-18)31-3;1-12-4-3-5-14(8-12)27-11-23-18(24-27)20(29)26-7-6-25(10-13(26)2)19(28)16-9-15(21)17(22)30-16/h5-11,14,16-17H,12-13H2,1-4H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;5-11,14,16-17H,12-13H2,1-4H3;4-9,12,14,16H,10-11,13H2,1-3H3;3-5,8-9,11,13H,6-7,10H2,1-2H3/t16-,17+;;;;16-,17+;;
InChIKeyNHPKCOPBKACYIN-GGLUQYKQSA-N
XLogP24.40
TPSA600.79 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003324.44
LogP ≤ 524.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[(2S)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[(2S)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[(2R)-2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone
CID 157836689
(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
(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
[(2S)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[(2S)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[(2S)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[(2S)-2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[(2R)-2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone
CID 160772790
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C(=O)c2cc3c(Cl)cccc3s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3ccn(C)n3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)C2)n1.COc1cccc(C(=O)N2[C@H](C)CN(C(=O)c3ncn(-c4cccc(C)c4)n3)C[C@@H]2C)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3C[C@@H](C)N(C(=O)c4oc5ccc(Cl)cc5c4C)[C@@H](C)C3)n2)c1.
What is the InChIKey of 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?
The InChIKey is NHPKCOPBKACYIN-GGLUQYKQSA-N. The full InChI is InChI=1S/C26H26ClN5O3.C25H24ClN7O2.C23H19Cl2N5O2S.C23H20ClN5O3.C23H26N6O3.C22H24N6O3.C20H19Br2N5O3/c1-15-6-5-7-20(10-15)31-14-28-24(29-31)26(34)30-12-16(2)32(17(3)13-30)25(33)23-18(4)21-11-19(27)8-9-22(21)35-23;1-17-15-31(24(34)19-6-3-5-18(13-19)22-9-10-30(2)28-22)11-12-32(17)25(35)23-27-16-33(29-23)21-8-4-7-20(26)14-21;1-14-12-28(22(31)20-11-17-18(25)6-3-7-19(17)33-20)8-9-29(14)23(32)21-26-13-30(27-21)16-5-2-4-15(24)10-16;1-15-13-27(22(30)20-11-16-5-2-3-8-19(16)32-20)9-10-28(15)23(31)21-25-14-29(26-21)18-7-4-6-17(24)12-18;1-15-7-5-8-18(11-15)28-14-24-21(26-28)23(31)27-12-16(2)29(17(3)13-27)22(30)19-9-6-10-20(25-19)32-4;1-15-6-4-7-17(12-15)28-14-23-20(25-28)22(30)27-11-10-26(13-16(27)2)21(29)18-8-5-9-19(24-18)31-3;1-12-4-3-5-14(8-12)27-11-23-18(24-27)20(29)26-7-6-25(10-13(26)2)19(28)16-9-15(21)17(22)30-16/h5-11,14,16-17H,12-13H2,1-4H3;3-10,13-14,16-17H,11-12,15H2,1-2H3;2-7,10-11,13-14H,8-9,12H2,1H3;2-8,11-12,14-15H,9-10,13H2,1H3;5-11,14,16-17H,12-13H2,1-4H3;4-9,12,14,16H,10-11,13H2,1-3H3;3-5,8-9,11,13H,6-7,10H2,1-2H3/t16-,17+;;;;16-,17+;;.
What are the key properties of 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?
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 has a molecular weight of 3324.44 g/mol, XLogP of 24.40, 24 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159783041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).