(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone

C190H202ClN47O22S — CID 161253634

IUPAC(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone
SMILESCC(=O)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.CC(C)Oc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.CCOc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.COc1ccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)s1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.Cc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cn1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C28H30N6O3.C27H28N6O3.C24H25N7O2.C23H24N6O3.C23H25N5O2.C22H23ClN6O3.C22H24N6O3.C21H23N5O3S/c1-19(2)37-25-22-13-9-8-10-20(22)16-23(30-25)26(35)32-14-15-33(28(3,4)17-32)27(36)24-29-18-34(31-24)21-11-6-5-7-12-21;1-4-36-24-21-13-9-8-10-19(21)16-22(29-24)25(34)31-14-15-32(27(2,3)17-31)26(35)23-28-18-33(30-23)20-11-6-5-7-12-20;1-24(2)15-29(22(32)20-18-11-7-8-12-19(18)28(3)26-20)13-14-30(24)23(33)21-25-16-31(27-21)17-9-5-4-6-10-17;1-16(30)18-10-7-11-19(25-18)21(31)27-12-13-28(23(2,3)14-27)22(32)20-24-15-29(26-20)17-8-5-4-6-9-17;1-17-8-7-9-18(14-17)21(29)26-12-13-27(23(2,3)15-26)22(30)20-24-16-28(25-20)19-10-5-4-6-11-19;1-22(2)13-27(20(30)17-11-15(23)12-18(25-17)32-3)9-10-28(22)21(31)19-24-14-29(26-19)16-7-5-4-6-8-16;1-22(2)14-26(20(29)17-10-7-11-18(24-17)31-3)12-13-27(22)21(30)19-23-15-28(25-19)16-8-5-4-6-9-16;1-21(2)13-24(19(27)16-9-10-17(29-3)30-16)11-12-25(21)20(28)18-22-14-26(23-18)15-7-5-4-6-8-15/h5-13,16,18-19H,14-15,17H2,1-4H3;5-13,16,18H,4,14-15,17H2,1-3H3;4-12,16H,13-15H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-11,14,16H,12-13,15H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-10,14H,11-13H2,1-3H3
InChIKeyVBPKKZUKOYGTOO-UHFFFAOYSA-N
MW3563.53 g/mol
LogP22.76
Rot. Bonds32

About (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone

(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone (PubChem CID 161253634) has the molecular formula C190H202ClN47O22S and a molecular weight of 3563.53 g/mol. Its IUPAC name is (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone
PubChem CID161253634
Molecular FormulaC190H202ClN47O22S
Molecular Weight3563.53 g/mol
Exact Mass3560.55
IUPAC Name(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone
SMILESCC(=O)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.CC(C)Oc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.CCOc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.COc1ccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)s1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.Cc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cn1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C28H30N6O3.C27H28N6O3.C24H25N7O2.C23H24N6O3.C23H25N5O2.C22H23ClN6O3.C22H24N6O3.C21H23N5O3S/c1-19(2)37-25-22-13-9-8-10-20(22)16-23(30-25)26(35)32-14-15-33(28(3,4)17-32)27(36)24-29-18-34(31-24)21-11-6-5-7-12-21;1-4-36-24-21-13-9-8-10-19(21)16-22(29-24)25(34)31-14-15-32(27(2,3)17-31)26(35)23-28-18-33(30-23)20-11-6-5-7-12-20;1-24(2)15-29(22(32)20-18-11-7-8-12-19(18)28(3)26-20)13-14-30(24)23(33)21-25-16-31(27-21)17-9-5-4-6-10-17;1-16(30)18-10-7-11-19(25-18)21(31)27-12-13-28(23(2,3)14-27)22(32)20-24-15-29(26-20)17-8-5-4-6-9-17;1-17-8-7-9-18(14-17)21(29)26-12-13-27(23(2,3)15-26)22(30)20-24-16-28(25-20)19-10-5-4-6-11-19;1-22(2)13-27(20(30)17-11-15(23)12-18(25-17)32-3)9-10-28(22)21(31)19-24-14-29(26-19)16-7-5-4-6-8-16;1-22(2)14-26(20(29)17-10-7-11-18(24-17)31-3)12-13-27(22)21(30)19-23-15-28(25-19)16-8-5-4-6-9-16;1-21(2)13-24(19(27)16-9-10-17(29-3)30-16)11-12-25(21)20(28)18-22-14-26(23-18)15-7-5-4-6-8-15/h5-13,16,18-19H,14-15,17H2,1-4H3;5-13,16,18H,4,14-15,17H2,1-3H3;4-12,16H,13-15H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-11,14,16H,12-13,15H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-10,14H,11-13H2,1-3H3
InChIKeyVBPKKZUKOYGTOO-UHFFFAOYSA-N
XLogP22.76
TPSA716.13 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds32
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003563.53
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone with MolForge

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Related Compounds

[4-[1-(3-Chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[1-(cyclopropylmethoxy)isoquinolin-3-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-propoxyisoquinolin-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
CID 160772937
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-3-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-benzofuran-5-ylmethyl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(5-propanoylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 158094437
5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chlorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158426392
[2-Chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone
CID 158901192
(1-Cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone
CID 159891052
CID 160105457
CID 160105457
(3-Chloro-5-methoxyphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone
CID 160444828
4-[3-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]phenyl]benzonitrile;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5,6-dimethoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-ethylphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methylindazol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-inden-5-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methylindol-5-yl)methanone
CID 161236454

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone?
The IUPAC name of (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone (CID 161253634) is (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone.
What is the SMILES notation for (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone?
The canonical SMILES for (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone is CC(=O)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.CC(C)Oc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.CCOc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)cc2ccccc12.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.COc1ccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)s1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1.Cc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cn1nc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c2ccccc21.
What is the InChIKey of (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone?
The InChIKey is VBPKKZUKOYGTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C27H28N6O3.C24H25N7O2.C23H24N6O3.C23H25N5O2.C22H23ClN6O3.C22H24N6O3.C21H23N5O3S/c1-19(2)37-25-22-13-9-8-10-20(22)16-23(30-25)26(35)32-14-15-33(28(3,4)17-32)27(36)24-29-18-34(31-24)21-11-6-5-7-12-21;1-4-36-24-21-13-9-8-10-19(21)16-22(29-24)25(34)31-14-15-32(27(2,3)17-31)26(35)23-28-18-33(30-23)20-11-6-5-7-12-20;1-24(2)15-29(22(32)20-18-11-7-8-12-19(18)28(3)26-20)13-14-30(24)23(33)21-25-16-31(27-21)17-9-5-4-6-10-17;1-16(30)18-10-7-11-19(25-18)21(31)27-12-13-28(23(2,3)14-27)22(32)20-24-15-29(26-20)17-8-5-4-6-9-17;1-17-8-7-9-18(14-17)21(29)26-12-13-27(23(2,3)15-26)22(30)20-24-16-28(25-20)19-10-5-4-6-11-19;1-22(2)13-27(20(30)17-11-15(23)12-18(25-17)32-3)9-10-28(22)21(31)19-24-14-29(26-19)16-7-5-4-6-8-16;1-22(2)14-26(20(29)17-10-7-11-18(24-17)31-3)12-13-27(22)21(30)19-23-15-28(25-19)16-8-5-4-6-9-16;1-21(2)13-24(19(27)16-9-10-17(29-3)30-16)11-12-25(21)20(28)18-22-14-26(23-18)15-7-5-4-6-8-15/h5-13,16,18-19H,14-15,17H2,1-4H3;5-13,16,18H,4,14-15,17H2,1-3H3;4-12,16H,13-15H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-11,14,16H,12-13,15H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-11,15H,12-14H2,1-3H3;4-10,14H,11-13H2,1-3H3.
What are the key properties of (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone?
(4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone has a molecular weight of 3563.53 g/mol, XLogP of 22.76, 32 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-2-pyridinyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;1-[6-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carbonyl]-2-pyridinyl]ethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-ethoxyisoquinolin-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(5-methoxythiophen-2-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-methylindazol-3-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-methylphenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(1-propan-2-yloxyisoquinolin-3-yl)methanone is sourced from PubChem (CID 161253634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).