(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone

C164H170Br3Cl4F3N38O20 — CID 159917403

IUPAC(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.CC1(C)CN(C(=O)c2cccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Br)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)(C)C2)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4c(C)oc5ccccc45)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Cl)c5c(c4)OCCO5)CC3(C)C)n2)c1
InChIInChI=1S/C26H27N5O3.C25H26ClN5O4.C25H28ClN5O2.C23H26N6O3.C22H22BrClN6O3.C22H20ClF3N6O2.C21H21Br2N5O3/c1-17-8-7-9-19(14-17)31-16-27-23(28-31)25(33)30-13-12-29(15-26(30,3)4)24(32)22-18(2)34-21-11-6-5-10-20(21)22;1-16-5-4-6-18(11-16)31-15-27-22(28-31)24(33)30-8-7-29(14-25(30,2)3)23(32)17-12-19(26)21-20(13-17)34-9-10-35-21;1-17(2)18-7-5-8-19(13-18)23(32)29-11-12-30(25(3,4)15-29)24(33)22-27-16-31(28-22)21-10-6-9-20(26)14-21;1-16-7-5-8-17(13-16)29-15-24-20(26-29)22(31)28-12-11-27(14-23(28,2)3)21(30)18-9-6-10-19(25-18)32-4;1-22(2)12-28(20(31)17-9-14(23)10-18(26-17)33-3)7-8-29(22)21(32)19-25-13-30(27-19)16-6-4-5-15(24)11-16;1-21(2)12-30(19(33)16-7-4-8-17(28-16)22(24,25)26)9-10-31(21)20(34)18-27-13-32(29-18)15-6-3-5-14(23)11-15;1-13-5-4-6-14(9-13)28-12-24-18(25-28)20(30)27-8-7-26(11-21(27,2)3)19(29)16-10-15(22)17(23)31-16/h5-11,14,16H,12-13,15H2,1-4H3;4-6,11-13,15H,7-10,14H2,1-3H3;5-10,13-14,16-17H,11-12,15H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;4-6,9-11,13H,7-8,12H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;4-6,9-10,12H,7-8,11H2,1-3H3
InChIKeyNXYOBSBASZBIDB-UHFFFAOYSA-N
MW3431.93 g/mol
LogP25.41
Rot. Bonds24

About (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone

(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 159917403) has the molecular formula C164H170Br3Cl4F3N38O20 and a molecular weight of 3431.93 g/mol. Its IUPAC name is (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone
PubChem CID159917403
Molecular FormulaC164H170Br3Cl4F3N38O20
Molecular Weight3431.93 g/mol
Exact Mass3424.97
IUPAC Name(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.CC1(C)CN(C(=O)c2cccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Br)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)(C)C2)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4c(C)oc5ccccc45)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Cl)c5c(c4)OCCO5)CC3(C)C)n2)c1
InChIInChI=1S/C26H27N5O3.C25H26ClN5O4.C25H28ClN5O2.C23H26N6O3.C22H22BrClN6O3.C22H20ClF3N6O2.C21H21Br2N5O3/c1-17-8-7-9-19(14-17)31-16-27-23(28-31)25(33)30-13-12-29(15-26(30,3)4)24(32)22-18(2)34-21-11-6-5-10-20(21)22;1-16-5-4-6-18(11-16)31-15-27-22(28-31)24(33)30-8-7-29(14-25(30,2)3)23(32)17-12-19(26)21-20(13-17)34-9-10-35-21;1-17(2)18-7-5-8-19(13-18)23(32)29-11-12-30(25(3,4)15-29)24(33)22-27-16-31(28-22)21-10-6-9-20(26)14-21;1-16-7-5-8-17(13-16)29-15-24-20(26-29)22(31)28-12-11-27(14-23(28,2)3)21(30)18-9-6-10-19(25-18)32-4;1-22(2)12-28(20(31)17-9-14(23)10-18(26-17)33-3)7-8-29(22)21(32)19-25-13-30(27-19)16-6-4-5-15(24)11-16;1-21(2)12-30(19(33)16-7-4-8-17(28-16)22(24,25)26)9-10-31(21)20(34)18-27-13-32(29-18)15-6-3-5-14(23)11-15;1-13-5-4-6-14(9-13)28-12-24-18(25-28)20(30)27-8-7-26(11-21(27,2)3)19(29)16-10-15(22)17(23)31-16/h5-11,14,16H,12-13,15H2,1-4H3;4-6,11-13,15H,7-10,14H2,1-3H3;5-10,13-14,16-17H,11-12,15H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;4-6,9-11,13H,7-8,12H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;4-6,9-10,12H,7-8,11H2,1-3H3
InChIKeyNXYOBSBASZBIDB-UHFFFAOYSA-N
XLogP25.41
TPSA601.18 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003431.93
LogP ≤ 525.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone (CID 159917403) is (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone is CC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1.CC1(C)CN(C(=O)c2cccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Br)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)C(C)(C)C2)n1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4c(C)oc5ccccc45)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Br)c(Br)o4)CC3(C)C)n2)c1.Cc1cccc(-n2cnc(C(=O)N3CCN(C(=O)c4cc(Cl)c5c(c4)OCCO5)CC3(C)C)n2)c1.
What is the InChIKey of (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is NXYOBSBASZBIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3.C25H26ClN5O4.C25H28ClN5O2.C23H26N6O3.C22H22BrClN6O3.C22H20ClF3N6O2.C21H21Br2N5O3/c1-17-8-7-9-19(14-17)31-16-27-23(28-31)25(33)30-13-12-29(15-26(30,3)4)24(32)22-18(2)34-21-11-6-5-10-20(21)22;1-16-5-4-6-18(11-16)31-15-27-22(28-31)24(33)30-8-7-29(14-25(30,2)3)23(32)17-12-19(26)21-20(13-17)34-9-10-35-21;1-17(2)18-7-5-8-19(13-18)23(32)29-11-12-30(25(3,4)15-29)24(33)22-27-16-31(28-22)21-10-6-9-20(26)14-21;1-16-7-5-8-17(13-16)29-15-24-20(26-29)22(31)28-12-11-27(14-23(28,2)3)21(30)18-9-6-10-19(25-18)32-4;1-22(2)12-28(20(31)17-9-14(23)10-18(26-17)33-3)7-8-29(22)21(32)19-25-13-30(27-19)16-6-4-5-15(24)11-16;1-21(2)12-30(19(33)16-7-4-8-17(28-16)22(24,25)26)9-10-31(21)20(34)18-27-13-32(29-18)15-6-3-5-14(23)11-15;1-13-5-4-6-14(9-13)28-12-24-18(25-28)20(30)27-8-7-26(11-21(27,2)3)19(29)16-10-15(22)17(23)31-16/h5-11,14,16H,12-13,15H2,1-4H3;4-6,11-13,15H,7-10,14H2,1-3H3;5-10,13-14,16-17H,11-12,15H2,1-4H3;5-10,13,15H,11-12,14H2,1-4H3;4-6,9-11,13H,7-8,12H2,1-3H3;3-8,11,13H,9-10,12H2,1-2H3;4-6,9-10,12H,7-8,11H2,1-3H3.
What are the key properties of (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone?
(4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 3431.93 g/mol, XLogP of 25.41, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-methoxy-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[3,3-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]-3,3-dimethylpiperazin-1-yl]-(3-propan-2-ylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 159917403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).