About [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone
[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone (PubChem CID 161235896) has the molecular formula C162H157Br2Cl5F2N42O21
and a molecular weight of 3403.38 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone.
Frequently Asked Questions
What is the IUPAC name of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone?
The IUPAC name of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone (CID 161235896) is [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone.
What is the SMILES notation for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone?
The canonical SMILES for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone is CC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.CC1CN(C(=O)c2nnn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.COc1ccc2c(C)c(C(=O)N3CCN(C(=O)c4ncn(-c5cccc(Cl)c5)n4)CC3C)oc2c1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)n1.COc1nc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)cc2ccccc12.COc1nc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(F)c4)n3)C(C)(C)C2)cc2ccccc12.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2C)oc2ccc(F)cc12.
What is the InChIKey of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone?
The InChIKey is UZJCRYXHWTYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O3.C25H24ClN5O4.C25H24FN7O3.C24H21ClFN5O3.C24H28N6O2.C21H21ClN6O3.C18H15Br2ClN6O3/c1-25(2)15-31(23(34)20-13-16-7-4-5-10-19(16)22(27-20)36-3)11-12-32(25)24(35)21-28-30-33(29-21)18-9-6-8-17(26)14-18;1-15-13-29(25(33)23-27-14-31(28-23)18-6-4-5-17(26)11-18)9-10-30(15)24(32)22-16(2)20-8-7-19(34-3)12-21(20)35-22;1-25(2)15-31(23(34)20-13-16-7-4-5-10-19(16)22(27-20)36-3)11-12-32(25)24(35)21-28-30-33(29-21)18-9-6-8-17(26)14-18;1-14-12-29(24(33)22-27-13-31(28-22)18-5-3-4-16(25)10-18)8-9-30(14)23(32)21-15(2)19-11-17(26)6-7-20(19)34-21;1-17(2)19-11-8-12-20(26-19)22(31)28-13-14-29(24(3,4)15-28)23(32)21-25-16-30(27-21)18-9-6-5-7-10-18;1-14-12-26(9-10-27(14)20(29)17-7-4-8-18(24-17)31-2)21(30)19-23-13-28(25-19)16-6-3-5-15(22)11-16;1-10-9-25(5-6-26(10)17(28)14-8-13(19)15(20)30-14)18(29)16-22-24-27(23-16)12-4-2-3-11(21)7-12/h4-10,13-14H,11-12,15H2,1-3H3;4-8,11-12,14-15H,9-10,13H2,1-3H3;4-10,13-14H,11-12,15H2,1-3H3;3-7,10-11,13-14H,8-9,12H2,1-2H3;5-12,16-17H,13-15H2,1-4H3;3-8,11,13-14H,9-10,12H2,1-2H3;2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone?
[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone has a molecular weight of 3403.38 g/mol, XLogP of 22.95, 26 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone;[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-propan-2-yl-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone is sourced from PubChem (CID 161235896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).