3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide

C138H127Cl2F17N32O5S2 — CID 159533525

IUPAC3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)s2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncs2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1
InChIInChI=1S/C30H28F4N8O.C29H26F4N6O.C29H26F3N7O.C25H24ClF3N6OS.C25H23ClF3N5OS/c1-18-3-4-20(13-26(18)42-17-25(38-39-42)21-11-19-5-6-35-28(19)36-15-21)29(43)37-23-12-22(16-41-9-7-40(2)8-10-41)27(31)24(14-23)30(32,33)34;1-16(2)4-6-18-11-22(13-23(26(18)30)29(31,32)33)36-28(40)20-7-5-17(3)25(12-20)39-15-24(37-38-39)21-10-19-8-9-34-27(19)35-14-21;1-18-4-5-21(13-26(18)39-17-25(36-37-39)22-12-20-6-7-33-27(20)34-15-22)28(40)35-24-11-19(16-38-8-2-3-9-38)10-23(14-24)29(30,31)32;1-13(2)4-6-15-8-17(10-18(22(15)26)25(27,28)29)32-23(36)16-7-5-14(3)20(9-16)35-12-19(33-34-35)21-11-31-24(30)37-21;1-14(2)4-6-16-8-18(10-19(23(16)26)25(27,28)29)31-24(35)17-7-5-15(3)21(9-17)34-12-20(32-33-34)22-11-30-13-36-22/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,35,36)(H,37,43);5,7-16H,4,6H2,1-3H3,(H,34,35)(H,36,40);4-7,10-15,17H,2-3,8-9,16H2,1H3,(H,33,34)(H,35,40);5,7-13H,4,6H2,1-3H3,(H2,30,31)(H,32,36);5,7-14H,4,6H2,1-3H3,(H,31,35)
InChIKeyMDHLYZMNMULSJV-UHFFFAOYSA-N
MW2771.76 g/mol
LogP32.39
Rot. Bonds33

About 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide

3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide (PubChem CID 159533525) has the molecular formula C138H127Cl2F17N32O5S2 and a molecular weight of 2771.76 g/mol. Its IUPAC name is 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
PubChem CID159533525
Molecular FormulaC138H127Cl2F17N32O5S2
Molecular Weight2771.76 g/mol
Exact Mass2768.92
IUPAC Name3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)s2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncs2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1
InChIInChI=1S/C30H28F4N8O.C29H26F4N6O.C29H26F3N7O.C25H24ClF3N6OS.C25H23ClF3N5OS/c1-18-3-4-20(13-26(18)42-17-25(38-39-42)21-11-19-5-6-35-28(19)36-15-21)29(43)37-23-12-22(16-41-9-7-40(2)8-10-41)27(31)24(14-23)30(32,33)34;1-16(2)4-6-18-11-22(13-23(26(18)30)29(31,32)33)36-28(40)20-7-5-17(3)25(12-20)39-15-24(37-38-39)21-10-19-8-9-34-27(19)35-14-21;1-18-4-5-21(13-26(18)39-17-25(36-37-39)22-12-20-6-7-33-27(20)34-15-22)28(40)35-24-11-19(16-38-8-2-3-9-38)10-23(14-24)29(30,31)32;1-13(2)4-6-15-8-17(10-18(22(15)26)25(27,28)29)32-23(36)16-7-5-14(3)20(9-16)35-12-19(33-34-35)21-11-31-24(30)37-21;1-14(2)4-6-16-8-18(10-19(23(16)26)25(27,28)29)31-24(35)17-7-5-15(3)21(9-17)34-12-20(32-33-34)22-11-30-13-36-22/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,35,36)(H,37,43);5,7-16H,4,6H2,1-3H3,(H,34,35)(H,36,40);4-7,10-15,17H,2-3,8-9,16H2,1H3,(H,33,34)(H,35,40);5,7-13H,4,6H2,1-3H3,(H2,30,31)(H,32,36);5,7-14H,4,6H2,1-3H3,(H,31,35)
InChIKeyMDHLYZMNMULSJV-UHFFFAOYSA-N
XLogP32.39
TPSA446.61 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.76
LogP ≤ 532.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide with MolForge

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Related Compounds

3-[(1S)-1-[(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one;3-[(1S)-1-[(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 157098388
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157411317
N-[6-amino-5-(4-chloro-2,3-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157707492
2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(3,3-difluorobutyl)-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-[2-(1,1-difluoroethoxy)ethyl]-1H-indole-6-carboxamide;2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-indole-6-carboxamide
CID 158173849
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(2,6-dichloro-4-pyridin-2-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(1-pyrazin-2-ylimidazol-2-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(2-pyrimidin-5-ylphenyl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(4-pyridazin-4-ylphenyl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159894126
1-[4-[(5-chloro-1H-indol-3-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(3H-inden-5-ylmethyl)piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-phenylethanone;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridin-2-ylethanone;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyrimidin-2-ylethanone;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 160394109
N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 160763006
1-[3-[2-(Dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(4-ethylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]phenyl]ethanone;1-[4-fluoro-3-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone
CID 161092986
3-[4-[2-(cyclobutanecarbonylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 161996350
N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide;2-[3-(4-cyclopropylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)phenyl]ethanone;2-[3-(1,1-difluoroethyl)-5-imidazol-1-ylphenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)phenyl]ethanone
CID 163897653
[4-[12-Fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 87113537
3-(1H-benzimidazol-2-yl)-1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;3-(6-fluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(1H-imidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 159101509

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide?
The IUPAC name of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide (CID 159533525) is 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide.
What is the SMILES notation for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide?
The canonical SMILES for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)s2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncs2)nn1.Cc1ccc(C(=O)Nc2cc(CCC(C)C)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1.
What is the InChIKey of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide?
The InChIKey is MDHLYZMNMULSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4N8O.C29H26F4N6O.C29H26F3N7O.C25H24ClF3N6OS.C25H23ClF3N5OS/c1-18-3-4-20(13-26(18)42-17-25(38-39-42)21-11-19-5-6-35-28(19)36-15-21)29(43)37-23-12-22(16-41-9-7-40(2)8-10-41)27(31)24(14-23)30(32,33)34;1-16(2)4-6-18-11-22(13-23(26(18)30)29(31,32)33)36-28(40)20-7-5-17(3)25(12-20)39-15-24(37-38-39)21-10-19-8-9-34-27(19)35-14-21;1-18-4-5-21(13-26(18)39-17-25(36-37-39)22-12-20-6-7-33-27(20)34-15-22)28(40)35-24-11-19(16-38-8-2-3-9-38)10-23(14-24)29(30,31)32;1-13(2)4-6-15-8-17(10-18(22(15)26)25(27,28)29)32-23(36)16-7-5-14(3)20(9-16)35-12-19(33-34-35)21-11-31-24(30)37-21;1-14(2)4-6-16-8-18(10-19(23(16)26)25(27,28)29)31-24(35)17-7-5-15(3)21(9-17)34-12-20(32-33-34)22-11-30-13-36-22/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,35,36)(H,37,43);5,7-16H,4,6H2,1-3H3,(H,34,35)(H,36,40);4-7,10-15,17H,2-3,8-9,16H2,1H3,(H,33,34)(H,35,40);5,7-13H,4,6H2,1-3H3,(H2,30,31)(H,32,36);5,7-14H,4,6H2,1-3H3,(H,31,35).
What are the key properties of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide?
3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide has a molecular weight of 2771.76 g/mol, XLogP of 32.39, 33 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-chloro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 159533525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).