N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide

C159H161F18N41O8 — CID 158765094

IUPACN-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
SMILESCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.Cc1ccc(C(=O)Nc2ccc(CCCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(CCCO)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C31H35F3N8O2.C27H27F3N6O.C26H29F3N8O.C26H27F3N8O.C25H22F3N5O2.C24H21F3N6O/c1-21-5-6-22(30(43)36-24-7-8-28(26(17-24)31(32,33)34)40(4)10-9-39(2)3)16-29(21)42-20-27(37-38-42)23-15-25(19-35-18-23)41-11-13-44-14-12-41;1-18-8-9-20(14-25(18)36-17-24(33-34-36)21-6-4-12-31-16-21)26(37)32-22-11-10-19(7-5-13-35(2)3)23(15-22)27(28,29)30;1-17-6-7-18(12-24(17)37-16-22(32-33-37)19-14-30-36(5)15-19)25(38)31-20-8-9-23(21(13-20)26(27,28)29)35(4)11-10-34(2)3;1-17-5-6-18(11-24(17)37-15-22(33-34-37)19-13-30-16-31-14-19)25(38)32-20-7-8-23(21(12-20)26(27,28)29)36(4)10-9-35(2)3;1-16-6-7-18(12-23(16)33-15-22(31-32-33)19-4-2-10-29-14-19)24(35)30-20-9-8-17(5-3-11-34)21(13-20)25(26,27)28;1-3-29-19-9-8-18(24(25,26)27)12-20(19)30-23(34)16-7-6-15(2)22(11-16)33-14-21(31-32-33)17-5-4-10-28-13-17/h5-8,15-20H,9-14H2,1-4H3,(H,36,43);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,32,37);6-9,12-16H,10-11H2,1-5H3,(H,31,38);5-8,11-16H,9-10H2,1-4H3,(H,32,38);2,4,6-10,12-15,34H,3,5,11H2,1H3,(H,30,35);4-14,29H,3H2,1-2H3,(H,30,34)
InChIKeyIPDRRSIGNXFJMH-UHFFFAOYSA-N
MW3116.28 g/mol
LogP28.87
Rot. Bonds46

About N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide

N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide (PubChem CID 158765094) has the molecular formula C159H161F18N41O8 and a molecular weight of 3116.28 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
PubChem CID158765094
Molecular FormulaC159H161F18N41O8
Molecular Weight3116.28 g/mol
Exact Mass3114.32
IUPAC NameN-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
SMILESCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.Cc1ccc(C(=O)Nc2ccc(CCCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(CCCO)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C31H35F3N8O2.C27H27F3N6O.C26H29F3N8O.C26H27F3N8O.C25H22F3N5O2.C24H21F3N6O/c1-21-5-6-22(30(43)36-24-7-8-28(26(17-24)31(32,33)34)40(4)10-9-39(2)3)16-29(21)42-20-27(37-38-42)23-15-25(19-35-18-23)41-11-13-44-14-12-41;1-18-8-9-20(14-25(18)36-17-24(33-34-36)21-6-4-12-31-16-21)26(37)32-22-11-10-19(7-5-13-35(2)3)23(15-22)27(28,29)30;1-17-6-7-18(12-24(17)37-16-22(32-33-37)19-14-30-36(5)15-19)25(38)31-20-8-9-23(21(13-20)26(27,28)29)35(4)11-10-34(2)3;1-17-5-6-18(11-24(17)37-15-22(33-34-37)19-13-30-16-31-14-19)25(38)32-20-7-8-23(21(12-20)26(27,28)29)36(4)10-9-35(2)3;1-16-6-7-18(12-23(16)33-15-22(31-32-33)19-4-2-10-29-14-19)24(35)30-20-9-8-17(5-3-11-34)21(13-20)25(26,27)28;1-3-29-19-9-8-18(24(25,26)27)12-20(19)30-23(34)16-7-6-15(2)22(11-16)33-14-21(31-32-33)17-5-4-10-28-13-17/h5-8,15-20H,9-14H2,1-4H3,(H,36,43);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,32,37);6-9,12-16H,10-11H2,1-5H3,(H,31,38);5-8,11-16H,9-10H2,1-4H3,(H,32,38);2,4,6-10,12-15,34H,3,5,11H2,1H3,(H,30,35);4-14,29H,3H2,1-2H3,(H,30,34)
InChIKeyIPDRRSIGNXFJMH-UHFFFAOYSA-N
XLogP28.87
TPSA521.43 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds46
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003116.28
LogP ≤ 528.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide with MolForge

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Related Compounds

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 157170803
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157356270
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
N-[3-[2-(dimethylamino)ethylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[3-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide
CID 157567791
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-2-pyridinyl]carbamate;methyl N-[5-[1-[5-[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-2-pyridinyl]carbamate
CID 157834932
1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[4-(methylcarbamoyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(morpholine-4-carbonyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-oxo-1-(pyridin-3-ylmethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-piperidin-1-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 157886874
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375
N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
CID 158062754
8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
CID 158085835
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158222114
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 158229716

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide (CID 158765094) is N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide is CCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.Cc1ccc(C(=O)Nc2ccc(CCCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(CCCO)c(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide?
The InChIKey is IPDRRSIGNXFJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N8O2.C27H27F3N6O.C26H29F3N8O.C26H27F3N8O.C25H22F3N5O2.C24H21F3N6O/c1-21-5-6-22(30(43)36-24-7-8-28(26(17-24)31(32,33)34)40(4)10-9-39(2)3)16-29(21)42-20-27(37-38-42)23-15-25(19-35-18-23)41-11-13-44-14-12-41;1-18-8-9-20(14-25(18)36-17-24(33-34-36)21-6-4-12-31-16-21)26(37)32-22-11-10-19(7-5-13-35(2)3)23(15-22)27(28,29)30;1-17-6-7-18(12-24(17)37-16-22(32-33-37)19-14-30-36(5)15-19)25(38)31-20-8-9-23(21(13-20)26(27,28)29)35(4)11-10-34(2)3;1-17-5-6-18(11-24(17)37-15-22(33-34-37)19-13-30-16-31-14-19)25(38)32-20-7-8-23(21(12-20)26(27,28)29)36(4)10-9-35(2)3;1-16-6-7-18(12-23(16)33-15-22(31-32-33)19-4-2-10-29-14-19)24(35)30-20-9-8-17(5-3-11-34)21(13-20)25(26,27)28;1-3-29-19-9-8-18(24(25,26)27)12-20(19)30-23(34)16-7-6-15(2)22(11-16)33-14-21(31-32-33)17-5-4-10-28-13-17/h5-8,15-20H,9-14H2,1-4H3,(H,36,43);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,32,37);6-9,12-16H,10-11H2,1-5H3,(H,31,38);5-8,11-16H,9-10H2,1-4H3,(H,32,38);2,4,6-10,12-15,34H,3,5,11H2,1H3,(H,30,35);4-14,29H,3H2,1-2H3,(H,30,34).
What are the key properties of N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide?
N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide has a molecular weight of 3116.28 g/mol, XLogP of 28.87, 46 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[4-[3-(dimethylamino)propyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide is sourced from PubChem (CID 158765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).