[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C195H198Cl8FN43O24 — CID 158127900

IUPAC[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1C.COc1ccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc2c1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1ccnc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)cc2ccccc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccc(F)cc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccccc12
InChIInChI=1S/C26H25ClN6O3.C26H26ClN5O4.C25H23ClFN5O3.C25H24ClN5O3.C24H27ClN6O2.C24H26ClN5O3.C23H24ClN5O3.C22H23ClN6O3/c1-26(2)15-31(24(34)21-13-17-7-4-5-10-20(17)23(29-21)36-3)11-12-32(26)25(35)22-28-16-33(30-22)19-9-6-8-18(27)14-19;1-16-20-9-8-19(35-4)13-21(20)36-22(16)24(33)30-10-11-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-7-5-6-17(27)12-18;1-15-19-12-17(27)7-8-20(19)35-21(15)23(33)30-9-10-31(25(2,3)13-30)24(34)22-28-14-32(29-22)18-6-4-5-16(26)11-18;1-16-19-9-4-5-10-20(19)34-21(16)23(32)29-11-12-30(25(2,3)14-29)24(33)22-27-15-31(28-22)18-8-6-7-17(26)13-18;1-24(2)15-29(22(32)17-7-5-9-19(13-17)28(3)4)11-12-30(24)23(33)21-26-16-31(27-21)20-10-6-8-18(25)14-20;1-16-8-9-17(12-20(16)33-4)22(31)28-10-11-29(24(2,3)14-28)23(32)21-26-15-30(27-21)19-7-5-6-18(25)13-19;1-23(2)14-27(21(30)16-6-4-9-19(12-16)32-3)10-11-28(23)22(31)20-25-15-29(26-20)18-8-5-7-17(24)13-18;1-22(2)13-27(20(30)18-12-17(32-3)7-8-24-18)9-10-28(22)21(31)19-25-14-29(26-19)16-6-4-5-15(23)11-16/h4-10,13-14,16H,11-12,15H2,1-3H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3;5-10,13-14,16H,11-12,15H2,1-4H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-9,12-13,15H,10-11,14H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyFSKJWOYZUSLHFE-UHFFFAOYSA-N
MW3830.63 g/mol
LogP30.04
Rot. Bonds30

About [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 158127900) has the molecular formula C195H198Cl8FN43O24 and a molecular weight of 3830.63 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID158127900
Molecular FormulaC195H198Cl8FN43O24
Molecular Weight3830.63 g/mol
Exact Mass3824.31
IUPAC Name[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1C.COc1ccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc2c1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1ccnc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)cc2ccccc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccc(F)cc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccccc12
InChIInChI=1S/C26H25ClN6O3.C26H26ClN5O4.C25H23ClFN5O3.C25H24ClN5O3.C24H27ClN6O2.C24H26ClN5O3.C23H24ClN5O3.C22H23ClN6O3/c1-26(2)15-31(24(34)21-13-17-7-4-5-10-20(17)23(29-21)36-3)11-12-32(26)25(35)22-28-16-33(30-22)19-9-6-8-18(27)14-19;1-16-20-9-8-19(35-4)13-21(20)36-22(16)24(33)30-10-11-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-7-5-6-17(27)12-18;1-15-19-12-17(27)7-8-20(19)35-21(15)23(33)30-9-10-31(25(2,3)13-30)24(34)22-28-14-32(29-22)18-6-4-5-16(26)11-18;1-16-19-9-4-5-10-20(19)34-21(16)23(32)29-11-12-30(25(2,3)14-29)24(33)22-27-15-31(28-22)18-8-6-7-17(26)13-18;1-24(2)15-29(22(32)17-7-5-9-19(13-17)28(3)4)11-12-30(24)23(33)21-26-16-31(27-21)20-10-6-8-18(25)14-20;1-16-8-9-17(12-20(16)33-4)22(31)28-10-11-29(24(2,3)14-28)23(32)21-26-15-30(27-21)19-7-5-6-18(25)13-19;1-23(2)14-27(21(30)16-6-4-9-19(12-16)32-3)10-11-28(23)22(31)20-25-15-29(26-20)18-8-5-7-17(24)13-18;1-22(2)13-27(20(30)18-12-17(32-3)7-8-24-18)9-10-28(22)21(31)19-25-14-29(26-19)16-6-4-5-15(23)11-16/h4-10,13-14,16H,11-12,15H2,1-3H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3;5-10,13-14,16H,11-12,15H2,1-4H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-9,12-13,15H,10-11,14H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyFSKJWOYZUSLHFE-UHFFFAOYSA-N
XLogP30.04
TPSA685.23 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds30
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003830.63
LogP ≤ 530.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 158127900) is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)ccc1C.COc1ccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)C(C)(C)C3)oc2c1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1ccnc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)cc2ccccc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccc(F)cc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)oc2ccccc12.
What is the InChIKey of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is FSKJWOYZUSLHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O3.C26H26ClN5O4.C25H23ClFN5O3.C25H24ClN5O3.C24H27ClN6O2.C24H26ClN5O3.C23H24ClN5O3.C22H23ClN6O3/c1-26(2)15-31(24(34)21-13-17-7-4-5-10-20(17)23(29-21)36-3)11-12-32(26)25(35)22-28-16-33(30-22)19-9-6-8-18(27)14-19;1-16-20-9-8-19(35-4)13-21(20)36-22(16)24(33)30-10-11-31(26(2,3)14-30)25(34)23-28-15-32(29-23)18-7-5-6-17(27)12-18;1-15-19-12-17(27)7-8-20(19)35-21(15)23(33)30-9-10-31(25(2,3)13-30)24(34)22-28-14-32(29-22)18-6-4-5-16(26)11-18;1-16-19-9-4-5-10-20(19)34-21(16)23(32)29-11-12-30(25(2,3)14-29)24(33)22-27-15-31(28-22)18-8-6-7-17(26)13-18;1-24(2)15-29(22(32)17-7-5-9-19(13-17)28(3)4)11-12-30(24)23(33)21-26-16-31(27-21)20-10-6-8-18(25)14-20;1-16-8-9-17(12-20(16)33-4)22(31)28-10-11-29(24(2,3)14-28)23(32)21-26-15-30(27-21)19-7-5-6-18(25)13-19;1-23(2)14-27(21(30)16-6-4-9-19(12-16)32-3)10-11-28(23)22(31)20-25-15-29(26-20)18-8-5-7-17(24)13-18;1-22(2)13-27(20(30)18-12-17(32-3)7-8-24-18)9-10-28(22)21(31)19-25-14-29(26-19)16-6-4-5-15(23)11-16/h4-10,13-14,16H,11-12,15H2,1-3H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3;5-10,13-14,16H,11-12,15H2,1-4H3;5-9,12-13,15H,10-11,14H2,1-4H3;4-9,12-13,15H,10-11,14H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3.
What are the key properties of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 3830.63 g/mol, XLogP of 30.04, 30 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 158127900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).