2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one

C86H71F3N24O11S — CID 158728891

IUPAC2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one
SMILESCc1ccc2c(c1)CC(C(=O)Nc1n[nH]c(-c3ccccn3)n1)O2.O=C(COc1ccccc1)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1csc(-c2ccco2)n1.O=C(Nc1ncc(-c2ccccn2)[nH]1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F3N5O2.C17H15N5O2.C16H13N5O3.C16H11N5O2S.C16H14N4O2/c22-21(23,24)15-5-3-4-13(8-15)11-29-12-14(9-18(29)30)19(31)28-20-26-10-17(27-20)16-6-1-2-7-25-16;1-10-5-6-13-11(8-10)9-14(24-13)16(23)20-17-19-15(21-22-17)12-4-2-3-7-18-12;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11;22-15(11-9-24-16(19-11)12-5-3-7-23-12)21-13-8-18-14(20-13)10-4-1-2-6-17-10;21-12(11-22-13-6-2-1-3-7-13)10-15-18-16(20-19-15)14-8-4-5-9-17-14/h1-8,10,14H,9,11-12H2,(H2,26,27,28,31);2-8,14H,9H2,1H3,(H2,19,20,21,22,23);1-7H,8-9H2,(H2,18,19,20,21,22);1-9H,(H,18,20)(H,21,22);1-9H,10-11H2,(H,18,19,20)
InChIKeyIKVRRGSZWYARLZ-UHFFFAOYSA-N
MW1705.73 g/mol
LogP12.87
Rot. Bonds22

About 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one (PubChem CID 158728891) has the molecular formula C86H71F3N24O11S and a molecular weight of 1705.73 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one
PubChem CID158728891
Molecular FormulaC86H71F3N24O11S
Molecular Weight1705.73 g/mol
Exact Mass1704.54
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one
SMILESCc1ccc2c(c1)CC(C(=O)Nc1n[nH]c(-c3ccccn3)n1)O2.O=C(COc1ccccc1)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1csc(-c2ccco2)n1.O=C(Nc1ncc(-c2ccccn2)[nH]1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F3N5O2.C17H15N5O2.C16H13N5O3.C16H11N5O2S.C16H14N4O2/c22-21(23,24)15-5-3-4-13(8-15)11-29-12-14(9-18(29)30)19(31)28-20-26-10-17(27-20)16-6-1-2-7-25-16;1-10-5-6-13-11(8-10)9-14(24-13)16(23)20-17-19-15(21-22-17)12-4-2-3-7-18-12;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11;22-15(11-9-24-16(19-11)12-5-3-7-23-12)21-13-8-18-14(20-13)10-4-1-2-6-17-10;21-12(11-22-13-6-2-1-3-7-13)10-15-18-16(20-19-15)14-8-4-5-9-17-14/h1-8,10,14H,9,11-12H2,(H2,26,27,28,31);2-8,14H,9H2,1H3,(H2,19,20,21,22,23);1-7H,8-9H2,(H2,18,19,20,21,22);1-9H,(H,18,20)(H,21,22);1-9H,10-11H2,(H,18,19,20)
InChIKeyIKVRRGSZWYARLZ-UHFFFAOYSA-N
XLogP12.87
TPSA463.25 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.73
LogP ≤ 512.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one with MolForge

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Related Compounds

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(methoxymethyl)-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;2-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]acetamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 157256969
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
1,3-benzodioxol-4-yl-[4-[2-(3-chlorophenyl)-1H-1,2,4-triazol-2-ium-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;1-[6-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-2-pyridinyl]ethanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-pyrrolidin-1-yl-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone
CID 157412869
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810
1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
CID 158309590
3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 159238700
3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 159961698
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 159986750
2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 160016025
5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 160748975
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 161813189
3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(3,4-dimethoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(methoxymethyl)-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;2-[2-methoxy-4-[2-(4-pyridin-2-ylcyclopenta-1,3-dien-1-yl)acetyl]phenoxy]acetamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 161996126

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one (CID 158728891) is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one is Cc1ccc2c(c1)CC(C(=O)Nc1n[nH]c(-c3ccccn3)n1)O2.O=C(COc1ccccc1)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1csc(-c2ccco2)n1.O=C(Nc1ncc(-c2ccccn2)[nH]1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one?
The InChIKey is IKVRRGSZWYARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2.C17H15N5O2.C16H13N5O3.C16H11N5O2S.C16H14N4O2/c22-21(23,24)15-5-3-4-13(8-15)11-29-12-14(9-18(29)30)19(31)28-20-26-10-17(27-20)16-6-1-2-7-25-16;1-10-5-6-13-11(8-10)9-14(24-13)16(23)20-17-19-15(21-22-17)12-4-2-3-7-18-12;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11;22-15(11-9-24-16(19-11)12-5-3-7-23-12)21-13-8-18-14(20-13)10-4-1-2-6-17-10;21-12(11-22-13-6-2-1-3-7-13)10-15-18-16(20-19-15)14-8-4-5-9-17-14/h1-8,10,14H,9,11-12H2,(H2,26,27,28,31);2-8,14H,9H2,1H3,(H2,19,20,21,22,23);1-7H,8-9H2,(H2,18,19,20,21,22);1-9H,(H,18,20)(H,21,22);1-9H,10-11H2,(H,18,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one?
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one has a molecular weight of 1705.73 g/mol, XLogP of 12.87, 22 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one is sourced from PubChem (CID 158728891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).