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

C136H103Cl2F18N33O10 — CID 157049630

IUPACN-(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
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(NCC1CC2C=CC1CC2)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc2c(c1)OCCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H19F3N6O2.C25H23F3N4O.C22H15F3N6O3.C21H13Cl2F3N6O.C21H15F3N6O.C20H18F3N5O2/c28-27(29,30)23-15-22(20-9-5-13-31-16-20)35-36(23)25-12-11-24(33-34-25)32-26(37)19-8-4-10-21(14-19)38-17-18-6-2-1-3-7-18;26-25(27,28)23-13-22(19-2-1-11-29-14-19)31-32(23)21-9-7-18(8-10-21)24(33)30-15-20-12-16-3-5-17(20)6-4-16;23-22(24,25)18-11-15(14-2-1-7-26-12-14)30-31(18)20-6-5-19(28-29-20)27-21(32)13-3-4-16-17(10-13)34-9-8-33-16;22-14-4-3-12(15(23)9-14)8-20(33)28-18-5-6-19(30-29-18)32-17(21(24,25)26)10-16(31-32)13-2-1-7-27-11-13;22-21(23,24)17-12-16(15-7-4-10-25-13-15)29-30(17)19-9-8-18(27-28-19)26-20(31)11-14-5-2-1-3-6-14;21-20(22,23)17-10-16(14-2-1-7-24-11-14)27-28(17)15-3-4-18(25-12-15)26-19(29)13-5-8-30-9-6-13/h1-16H,17H2,(H,32,33,37);1-3,5,7-11,13-14,16-17,20H,4,6,12,15H2,(H,30,33);1-7,10-12H,8-9H2,(H,27,28,32);1-7,9-11H,8H2,(H,28,29,33);1-10,12-13H,11H2,(H,26,27,31);1-4,7,10-13H,5-6,8-9H2,(H,25,26,29)
InChIKeyAAAVDCKRFSLSBI-UHFFFAOYSA-N
MW2772.41 g/mol
LogP27.49
Rot. Bonds30

About 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

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 (PubChem CID 157049630) has the molecular formula C136H103Cl2F18N33O10 and a molecular weight of 2772.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157049630
Molecular FormulaC136H103Cl2F18N33O10
Molecular Weight2772.41 g/mol
Exact Mass2769.77
IUPAC NameN-(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
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(NCC1CC2C=CC1CC2)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc2c(c1)OCCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H19F3N6O2.C25H23F3N4O.C22H15F3N6O3.C21H13Cl2F3N6O.C21H15F3N6O.C20H18F3N5O2/c28-27(29,30)23-15-22(20-9-5-13-31-16-20)35-36(23)25-12-11-24(33-34-25)32-26(37)19-8-4-10-21(14-19)38-17-18-6-2-1-3-7-18;26-25(27,28)23-13-22(19-2-1-11-29-14-19)31-32(23)21-9-7-18(8-10-21)24(33)30-15-20-12-16-3-5-17(20)6-4-16;23-22(24,25)18-11-15(14-2-1-7-26-12-14)30-31(18)20-6-5-19(28-29-20)27-21(32)13-3-4-16-17(10-13)34-9-8-33-16;22-14-4-3-12(15(23)9-14)8-20(33)28-18-5-6-19(30-29-18)32-17(21(24,25)26)10-16(31-32)13-2-1-7-27-11-13;22-21(23,24)17-12-16(15-7-4-10-25-13-15)29-30(17)19-9-8-18(27-28-19)26-20(31)11-14-5-2-1-3-6-14;21-20(22,23)17-10-16(14-2-1-7-24-11-14)27-28(17)15-3-4-18(25-12-15)26-19(29)13-5-8-30-9-6-13/h1-16H,17H2,(H,32,33,37);1-3,5,7-11,13-14,16-17,20H,4,6,12,15H2,(H,30,33);1-7,10-12H,8-9H2,(H,27,28,32);1-7,9-11H,8H2,(H,28,29,33);1-10,12-13H,11H2,(H,26,27,31);1-4,7,10-13H,5-6,8-9H2,(H,25,26,29)
InChIKeyAAAVDCKRFSLSBI-UHFFFAOYSA-N
XLogP27.49
TPSA511.79 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002772.41
LogP ≤ 527.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]oxane-4-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 158338543
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 159304904
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
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 160033376
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355
(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2,2,2-trifluoroethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[6-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyridazin-3-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrimidin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-oxo-3-propan-2-ylimidazolidin-1-yl)cyclohexyl]methyl]amino]-2-pyridinyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
CID 160840518
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
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 161628048

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(NCC1CC2C=CC1CC2)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc2c(c1)OCCO2.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is AAAVDCKRFSLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O2.C25H23F3N4O.C22H15F3N6O3.C21H13Cl2F3N6O.C21H15F3N6O.C20H18F3N5O2/c28-27(29,30)23-15-22(20-9-5-13-31-16-20)35-36(23)25-12-11-24(33-34-25)32-26(37)19-8-4-10-21(14-19)38-17-18-6-2-1-3-7-18;26-25(27,28)23-13-22(19-2-1-11-29-14-19)31-32(23)21-9-7-18(8-10-21)24(33)30-15-20-12-16-3-5-17(20)6-4-16;23-22(24,25)18-11-15(14-2-1-7-26-12-14)30-31(18)20-6-5-19(28-29-20)27-21(32)13-3-4-16-17(10-13)34-9-8-33-16;22-14-4-3-12(15(23)9-14)8-20(33)28-18-5-6-19(30-29-18)32-17(21(24,25)26)10-16(31-32)13-2-1-7-27-11-13;22-21(23,24)17-12-16(15-7-4-10-25-13-15)29-30(17)19-9-8-18(27-28-19)26-20(31)11-14-5-2-1-3-6-14;21-20(22,23)17-10-16(14-2-1-7-24-11-14)27-28(17)15-3-4-18(25-12-15)26-19(29)13-5-8-30-9-6-13/h1-16H,17H2,(H,32,33,37);1-3,5,7-11,13-14,16-17,20H,4,6,12,15H2,(H,30,33);1-7,10-12H,8-9H2,(H,27,28,32);1-7,9-11H,8H2,(H,28,29,33);1-10,12-13H,11H2,(H,26,27,31);1-4,7,10-13H,5-6,8-9H2,(H,25,26,29).
What are the key properties of 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?
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 has a molecular weight of 2772.41 g/mol, XLogP of 27.49, 30 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157049630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).