(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

C151H148Cl5F8N41O16 — CID 157246134

IUPAC(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
SMILESCC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cc(F)ccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2ccccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccc(F)cc2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccccc2F)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cc(F)ccc4F)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(C)c4)n3)C(C)(C)C2)n1
InChIInChI=1S/C22H20ClF2N5O2.C22H21ClFN5O2.C22H22F2N6O3.C22H25N7O3.3C21H20ClFN6O2/c1-22(2)12-28(20(31)14-4-3-5-15(23)10-14)8-9-29(22)21(32)19-26-13-30(27-19)18-11-16(24)6-7-17(18)25;1-22(2)13-27(20(30)15-6-5-7-16(23)12-15)10-11-28(22)21(31)19-25-14-29(26-19)18-9-4-3-8-17(18)24;1-22(2)12-28(20(31)16-5-4-6-18(26-16)33-3)9-10-29(22)21(32)19-25-13-30(27-19)17-11-14(23)7-8-15(17)24;1-15-7-5-8-16(13-15)29-25-19(24-26-29)21(31)28-12-11-27(14-22(28,2)3)20(30)17-9-6-10-18(23-17)32-4;1-21(2)13-27(19(30)14-5-3-6-15(22)11-14)9-10-28(21)20(31)18-24-26-29(25-18)17-8-4-7-16(23)12-17;1-21(2)13-27(19(30)14-6-5-7-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-9-4-3-8-16(17)23;1-21(2)13-27(19(30)14-4-3-5-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-8-6-16(23)7-9-17/h3-7,10-11,13H,8-9,12H2,1-2H3;3-9,12,14H,10-11,13H2,1-2H3;4-8,11,13H,9-10,12H2,1-3H3;5-10,13H,11-12,14H2,1-4H3;3-8,11-12H,9-10,13H2,1-2H3;2*3-9,12H,10-11,13H2,1-2H3
InChIKeyAVUFBRXUAHVKCJ-UHFFFAOYSA-N
MW3122.36 g/mol
LogP19.58
Rot. Bonds23

About (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

(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 (PubChem CID 157246134) has the molecular formula C151H148Cl5F8N41O16 and a molecular weight of 3122.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157246134
Molecular FormulaC151H148Cl5F8N41O16
Molecular Weight3122.36 g/mol
Exact Mass3118.03
IUPAC Name(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
SMILESCC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cc(F)ccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2ccccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccc(F)cc2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccccc2F)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cc(F)ccc4F)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(C)c4)n3)C(C)(C)C2)n1
InChIInChI=1S/C22H20ClF2N5O2.C22H21ClFN5O2.C22H22F2N6O3.C22H25N7O3.3C21H20ClFN6O2/c1-22(2)12-28(20(31)14-4-3-5-15(23)10-14)8-9-29(22)21(32)19-26-13-30(27-19)18-11-16(24)6-7-17(18)25;1-22(2)13-27(20(30)15-6-5-7-16(23)12-15)10-11-28(22)21(31)19-25-14-29(26-19)18-9-4-3-8-17(18)24;1-22(2)12-28(20(31)16-5-4-6-18(26-16)33-3)9-10-29(22)21(32)19-25-13-30(27-19)17-11-14(23)7-8-15(17)24;1-15-7-5-8-16(13-15)29-25-19(24-26-29)21(31)28-12-11-27(14-22(28,2)3)20(30)17-9-6-10-18(23-17)32-4;1-21(2)13-27(19(30)14-5-3-6-15(22)11-14)9-10-28(21)20(31)18-24-26-29(25-18)17-8-4-7-16(23)12-17;1-21(2)13-27(19(30)14-6-5-7-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-9-4-3-8-16(17)23;1-21(2)13-27(19(30)14-4-3-5-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-8-6-16(23)7-9-17/h3-7,10-11,13H,8-9,12H2,1-2H3;3-9,12,14H,10-11,13H2,1-2H3;4-8,11,13H,9-10,12H2,1-3H3;5-10,13H,11-12,14H2,1-4H3;3-8,11-12H,9-10,13H2,1-2H3;2*3-9,12H,10-11,13H2,1-2H3
InChIKeyAVUFBRXUAHVKCJ-UHFFFAOYSA-N
XLogP19.58
TPSA595.11 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds23
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003122.36
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze (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 with MolForge

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Related Compounds

CID 157961433
CID 157961433
[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159787021
CID 160335025
CID 160335025
8-[5-Chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-pyrrolidin-1-ylmethanone;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 160868600
CID 160911506
CID 160911506
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161089688
[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 161181302
(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
[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
(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
[7-(2-Chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(3-chloro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 159183648

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cc(F)ccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2ccccc2F)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccc(F)cc2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1nnn(-c2ccccc2F)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cc(F)ccc4F)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(C)c4)n3)C(C)(C)C2)n1.
What is the InChIKey of (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?
The InChIKey is AVUFBRXUAHVKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N5O2.C22H21ClFN5O2.C22H22F2N6O3.C22H25N7O3.3C21H20ClFN6O2/c1-22(2)12-28(20(31)14-4-3-5-15(23)10-14)8-9-29(22)21(32)19-26-13-30(27-19)18-11-16(24)6-7-17(18)25;1-22(2)13-27(20(30)15-6-5-7-16(23)12-15)10-11-28(22)21(31)19-25-14-29(26-19)18-9-4-3-8-17(18)24;1-22(2)12-28(20(31)16-5-4-6-18(26-16)33-3)9-10-29(22)21(32)19-25-13-30(27-19)17-11-14(23)7-8-15(17)24;1-15-7-5-8-16(13-15)29-25-19(24-26-29)21(31)28-12-11-27(14-22(28,2)3)20(30)17-9-6-10-18(23-17)32-4;1-21(2)13-27(19(30)14-5-3-6-15(22)11-14)9-10-28(21)20(31)18-24-26-29(25-18)17-8-4-7-16(23)12-17;1-21(2)13-27(19(30)14-6-5-7-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-9-4-3-8-16(17)23;1-21(2)13-27(19(30)14-4-3-5-15(22)12-14)10-11-28(21)20(31)18-24-26-29(25-18)17-8-6-16(23)7-9-17/h3-7,10-11,13H,8-9,12H2,1-2H3;3-9,12,14H,10-11,13H2,1-2H3;4-8,11,13H,9-10,12H2,1-3H3;5-10,13H,11-12,14H2,1-4H3;3-8,11-12H,9-10,13H2,1-2H3;2*3-9,12H,10-11,13H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 3122.36 g/mol, XLogP of 19.58, 23 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).