N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C157H128ClF21N34O13 — CID 161223074

IUPACN-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.COC(=O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccnc(Cl)c1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1)c1ccccc1.O=C(O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N4O.C23H19F3N6O.C23H23F3N4O3.C22H14F3N5O3.C22H21F3N4O3.C21H14F3N5O.C20H12ClF3N6O/c27-26(28,29)23-13-22(18-2-1-7-30-14-18)32-33(23)21-5-3-17(4-6-21)25(34)31-24-19-9-15-8-16(11-19)12-20(24)10-15;1-31(2)18-7-3-5-15(11-18)22(33)29-17-8-9-21(28-14-17)32-20(23(24,25)26)12-19(30-32)16-6-4-10-27-13-16;1-33-21(31)7-3-2-4-13-28-22(32)16-8-10-18(11-9-16)30-20(23(24,25)26)14-19(29-30)17-6-5-12-27-15-17;23-22(24,25)19-9-16(14-2-1-7-26-10-14)29-30(19)20-6-4-15(11-27-20)28-21(31)13-3-5-17-18(8-13)33-12-32-17;23-22(24,25)19-13-18(16-5-4-11-26-14-16)28-29(19)17-9-7-15(8-10-17)21(32)27-12-3-1-2-6-20(30)31;22-21(23,24)18-11-17(15-7-4-10-25-12-15)29(28-18)16-8-9-19(26-13-16)27-20(30)14-5-2-1-3-6-14;21-17-8-12(5-7-26-17)19(31)28-14-3-4-18(27-11-14)30-16(20(22,23)24)9-15(29-30)13-2-1-6-25-10-13/h1-7,13-16,19-20,24H,8-12H2,(H,31,34);3-14H,1-2H3,(H,29,33);5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,28,32);1-11H,12H2,(H,28,31);4-5,7-11,13-14H,1-3,6,12H2,(H,27,32)(H,30,31);1-13H,(H,26,27,30);1-11H,(H,28,31)
InChIKeyUXTQVOQLSYEYKL-UHFFFAOYSA-N
MW3133.39 g/mol
LogP32.50
Rot. Bonds39

About N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 161223074) has the molecular formula C157H128ClF21N34O13 and a molecular weight of 3133.39 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID161223074
Molecular FormulaC157H128ClF21N34O13
Molecular Weight3133.39 g/mol
Exact Mass3130.98
IUPAC NameN-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.COC(=O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccnc(Cl)c1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1)c1ccccc1.O=C(O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N4O.C23H19F3N6O.C23H23F3N4O3.C22H14F3N5O3.C22H21F3N4O3.C21H14F3N5O.C20H12ClF3N6O/c27-26(28,29)23-13-22(18-2-1-7-30-14-18)32-33(23)21-5-3-17(4-6-21)25(34)31-24-19-9-15-8-16(11-19)12-20(24)10-15;1-31(2)18-7-3-5-15(11-18)22(33)29-17-8-9-21(28-14-17)32-20(23(24,25)26)12-19(30-32)16-6-4-10-27-13-16;1-33-21(31)7-3-2-4-13-28-22(32)16-8-10-18(11-9-16)30-20(23(24,25)26)14-19(29-30)17-6-5-12-27-15-17;23-22(24,25)19-9-16(14-2-1-7-26-10-14)29-30(19)20-6-4-15(11-27-20)28-21(31)13-3-5-17-18(8-13)33-12-32-17;23-22(24,25)19-13-18(16-5-4-11-26-14-16)28-29(19)17-9-7-15(8-10-17)21(32)27-12-3-1-2-6-20(30)31;22-21(23,24)18-11-17(15-7-4-10-25-12-15)29(28-18)16-8-9-19(26-13-16)27-20(30)14-5-2-1-3-6-14;21-17-8-12(5-7-26-17)19(31)28-14-3-4-18(27-11-14)30-16(20(22,23)24)9-15(29-30)13-2-1-6-25-10-13/h1-7,13-16,19-20,24H,8-12H2,(H,31,34);3-14H,1-2H3,(H,29,33);5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,28,32);1-11H,12H2,(H,28,31);4-5,7-11,13-14H,1-3,6,12H2,(H,27,32)(H,30,31);1-13H,(H,26,27,30);1-11H,(H,28,31)
InChIKeyUXTQVOQLSYEYKL-UHFFFAOYSA-N
XLogP32.50
TPSA568.42 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.39
LogP ≤ 532.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.2]oct-5-enylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-(2,4-dichlorophenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]acetamide;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]acetamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 157049630
N-(1-adamantylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-6-methyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-(3-ethoxypropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-ethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[3-(4-hydroxyphenyl)propyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-(oxan-4-ylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 159972324
6-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160109334
N-benzyl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-cyclohexyl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]acetamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]heptanamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-(trifluoromethoxy)benzamide;4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160353412
4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethyl-4-methylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-2H-pyrrole-4-carboxamide
CID 160846051
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 162111855
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide
CID 162154316
8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 158548642
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 161659357

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 161223074) is N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is CN(C)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.COC(=O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccnc(Cl)c1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1)c1ccccc1.O=C(O)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UXTQVOQLSYEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O.C23H19F3N6O.C23H23F3N4O3.C22H14F3N5O3.C22H21F3N4O3.C21H14F3N5O.C20H12ClF3N6O/c27-26(28,29)23-13-22(18-2-1-7-30-14-18)32-33(23)21-5-3-17(4-6-21)25(34)31-24-19-9-15-8-16(11-19)12-20(24)10-15;1-31(2)18-7-3-5-15(11-18)22(33)29-17-8-9-21(28-14-17)32-20(23(24,25)26)12-19(30-32)16-6-4-10-27-13-16;1-33-21(31)7-3-2-4-13-28-22(32)16-8-10-18(11-9-16)30-20(23(24,25)26)14-19(29-30)17-6-5-12-27-15-17;23-22(24,25)19-9-16(14-2-1-7-26-10-14)29-30(19)20-6-4-15(11-27-20)28-21(31)13-3-5-17-18(8-13)33-12-32-17;23-22(24,25)19-13-18(16-5-4-11-26-14-16)28-29(19)17-9-7-15(8-10-17)21(32)27-12-3-1-2-6-20(30)31;22-21(23,24)18-11-17(15-7-4-10-25-12-15)29(28-18)16-8-9-19(26-13-16)27-20(30)14-5-2-1-3-6-14;21-17-8-12(5-7-26-17)19(31)28-14-3-4-18(27-11-14)30-16(20(22,23)24)9-15(29-30)13-2-1-6-25-10-13/h1-7,13-16,19-20,24H,8-12H2,(H,31,34);3-14H,1-2H3,(H,29,33);5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,28,32);1-11H,12H2,(H,28,31);4-5,7-11,13-14H,1-3,6,12H2,(H,27,32)(H,30,31);1-13H,(H,26,27,30);1-11H,(H,28,31).
What are the key properties of N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 3133.39 g/mol, XLogP of 32.50, 39 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;3-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;methyl 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoate;6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 161223074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).