(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

C168H179Cl7FN37O19 — CID 159061072

IUPAC(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESC.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)C1=NC(c2ccccc2)C=N1.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(C)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C3(CCC3)C2)n1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C2(CCCC2)C1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)C2(CCCC2)C1
InChIInChI=1S/C25H27ClN4O2.C24H23Cl2N5O2.C24H25Cl2N5O2.C24H24ClN5O2.C24H28N6O4.C23H25ClN6O4.C23H23FN6O3.CH4/c1-3-25(4-2)17-29(23(31)19-11-8-12-20(26)15-19)13-14-30(25)24(32)22-27-16-21(28-22)18-9-6-5-7-10-18;25-18-6-3-5-17(13-18)22(32)29-11-12-30(24(15-29)9-1-2-10-24)23(33)21-27-16-31(28-21)20-8-4-7-19(26)14-20;1-3-24(4-2)15-29(22(32)17-7-5-8-18(25)13-17)11-12-30(24)23(33)21-27-16-31(28-21)20-10-6-9-19(26)14-20;25-19-8-6-7-18(15-19)22(31)28-13-14-29(24(16-28)11-4-5-12-24)23(32)21-26-17-30(27-21)20-9-2-1-3-10-20;1-17-7-5-8-18(13-17)30-16-25-21(27-30)23(32)29-12-11-28(14-24(29,2)15-33-3)22(31)19-9-6-10-20(26-19)34-4;1-23(14-33-2)13-28(21(31)18-8-5-9-19(26-18)34-3)10-11-29(23)22(32)20-25-15-30(27-20)17-7-4-6-16(24)12-17;1-33-19-8-3-7-18(26-19)21(31)28-11-12-29(23(14-28)9-4-10-23)22(32)20-25-15-30(27-20)17-6-2-5-16(24)13-17;/h5-12,15-16,21H,3-4,13-14,17H2,1-2H3;3-8,13-14,16H,1-2,9-12,15H2;5-10,13-14,16H,3-4,11-12,15H2,1-2H3;1-3,6-10,15,17H,4-5,11-14,16H2;5-10,13,16H,11-12,14-15H2,1-4H3;4-9,12,15H,10-11,13-14H2,1-3H3;2-3,5-8,13,15H,4,9-12,14H2,1H3;1H4
InChIKeyJYLZZOOWTJJYJZ-UHFFFAOYSA-N
MW3287.69 g/mol
LogP24.73
Rot. Bonds32

About (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 159061072) has the molecular formula C168H179Cl7FN37O19 and a molecular weight of 3287.69 g/mol. Its IUPAC name is (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
PubChem CID159061072
Molecular FormulaC168H179Cl7FN37O19
Molecular Weight3287.69 g/mol
Exact Mass3282.20
IUPAC Name(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESC.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)C1=NC(c2ccccc2)C=N1.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(C)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C3(CCC3)C2)n1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C2(CCCC2)C1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)C2(CCCC2)C1
InChIInChI=1S/C25H27ClN4O2.C24H23Cl2N5O2.C24H25Cl2N5O2.C24H24ClN5O2.C24H28N6O4.C23H25ClN6O4.C23H23FN6O3.CH4/c1-3-25(4-2)17-29(23(31)19-11-8-12-20(26)15-19)13-14-30(25)24(32)22-27-16-21(28-22)18-9-6-5-7-10-18;25-18-6-3-5-17(13-18)22(32)29-11-12-30(24(15-29)9-1-2-10-24)23(33)21-27-16-31(28-21)20-8-4-7-19(26)14-20;1-3-24(4-2)15-29(22(32)17-7-5-8-18(25)13-17)11-12-30(24)23(33)21-27-16-31(28-21)20-10-6-9-19(26)14-20;25-19-8-6-7-18(15-19)22(31)28-13-14-29(24(16-28)11-4-5-12-24)23(32)21-26-17-30(27-21)20-9-2-1-3-10-20;1-17-7-5-8-18(13-17)30-16-25-21(27-30)23(32)29-12-11-28(14-24(29,2)15-33-3)22(31)19-9-6-10-20(26-19)34-4;1-23(14-33-2)13-28(21(31)18-8-5-9-19(26-18)34-3)10-11-29(23)22(32)20-25-15-30(27-20)17-7-4-6-16(24)12-17;1-33-19-8-3-7-18(26-19)21(31)28-11-12-29(23(14-28)9-4-10-23)22(32)20-25-15-30(27-20)17-6-2-5-16(24)13-17;/h5-12,15-16,21H,3-4,13-14,17H2,1-2H3;3-8,13-14,16H,1-2,9-12,15H2;5-10,13-14,16H,3-4,11-12,15H2,1-2H3;1-3,6-10,15,17H,4-5,11-14,16H2;5-10,13,16H,11-12,14-15H2,1-4H3;4-9,12,15H,10-11,13-14H2,1-3H3;2-3,5-8,13,15H,4,9-12,14H2,1H3;1H4
InChIKeyJYLZZOOWTJJYJZ-UHFFFAOYSA-N
XLogP24.73
TPSA578.14 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003287.69
LogP ≤ 524.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone with MolForge

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Related Compounds

(4-Chloro-6-methyl-2-pyridinyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-isoquinolin-3-ylmethanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[1-(2-methoxyethoxy)isoquinolin-3-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 161629877
(3-Chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 157190242
(3-Chlorophenyl)-[4-[1-(2,5-difluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(2,5-difluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[3,3-dimethyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 157246134
[4-[2-(3-Chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 158215998
5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methoxy-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159466776
[4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(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]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;bis((6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone);(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 160061794
[4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(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]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 160774330

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (CID 159061072) is (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is C.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)C1=NC(c2ccccc2)C=N1.CCC1(CC)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(C)c2)n1.COCC1(C)CN(C(=O)c2cccc(OC)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C3(CCC3)C2)n1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C2(CCCC2)C1.O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)C2(CCCC2)C1.
What is the InChIKey of (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is JYLZZOOWTJJYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2.C24H23Cl2N5O2.C24H25Cl2N5O2.C24H24ClN5O2.C24H28N6O4.C23H25ClN6O4.C23H23FN6O3.CH4/c1-3-25(4-2)17-29(23(31)19-11-8-12-20(26)15-19)13-14-30(25)24(32)22-27-16-21(28-22)18-9-6-5-7-10-18;25-18-6-3-5-17(13-18)22(32)29-11-12-30(24(15-29)9-1-2-10-24)23(33)21-27-16-31(28-21)20-8-4-7-19(26)14-20;1-3-24(4-2)15-29(22(32)17-7-5-8-18(25)13-17)11-12-30(24)23(33)21-27-16-31(28-21)20-10-6-9-19(26)14-20;25-19-8-6-7-18(15-19)22(31)28-13-14-29(24(16-28)11-4-5-12-24)23(32)21-26-17-30(27-21)20-9-2-1-3-10-20;1-17-7-5-8-18(13-17)30-16-25-21(27-30)23(32)29-12-11-28(14-24(29,2)15-33-3)22(31)19-9-6-10-20(26-19)34-4;1-23(14-33-2)13-28(21(31)18-8-5-9-19(26-18)34-3)10-11-29(23)22(32)20-25-15-30(27-20)17-7-4-6-16(24)12-17;1-33-19-8-3-7-18(26-19)21(31)28-11-12-29(23(14-28)9-4-10-23)22(32)20-25-15-30(27-20)17-6-2-5-16(24)13-17;/h5-12,15-16,21H,3-4,13-14,17H2,1-2H3;3-8,13-14,16H,1-2,9-12,15H2;5-10,13-14,16H,3-4,11-12,15H2,1-2H3;1-3,6-10,15,17H,4-5,11-14,16H2;5-10,13,16H,11-12,14-15H2,1-4H3;4-9,12,15H,10-11,13-14H2,1-3H3;2-3,5-8,13,15H,4,9-12,14H2,1H3;1H4.
What are the key properties of (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
(3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 3287.69 g/mol, XLogP of 24.73, 32 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[6-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-9-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-diethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[3,3-diethyl-4-(4-phenyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;(3-chlorophenyl)-[6-(1-phenyl-1,2,4-triazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-9-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-(methoxymethyl)-3-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[5-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-5,8-diazaspiro[3.5]nonan-8-yl]-(6-methoxy-2-pyridinyl)methanone;methane;[3-(methoxymethyl)-3-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 159061072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).