N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide

C125H114F18N26O9 — CID 158867402

IUPACN-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide
SMILESCC(C)CNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CN(C)CCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.COCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(CCCc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NC1CCOCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1
InChIInChI=1S/C24H20F3N5O.2C21H19F3N4O2.C20H20F3N5O.C20H19F3N4O.C19H17F3N4O2/c25-24(26,27)21-14-20(18-9-5-13-28-15-18)31-32(21)22-12-11-19(16-29-22)30-23(33)10-4-8-17-6-2-1-3-7-17;22-21(23,24)19-12-18(15-2-1-9-25-13-15)28(27-19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;22-21(23,24)19-12-18(15-2-1-9-25-13-15)27-28(19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;1-27(2)11-10-25-19(29)14-5-7-16(8-6-14)28-18(20(21,22)23)12-17(26-28)15-4-3-9-24-13-15;1-13(2)11-25-19(28)14-5-7-16(8-6-14)27-18(20(21,22)23)10-17(26-27)15-4-3-9-24-12-15;1-28-10-9-24-18(27)13-4-6-15(7-5-13)26-17(19(20,21)22)11-16(25-26)14-3-2-8-23-12-14/h1-3,5-7,9,11-16H,4,8,10H2,(H,30,33);2*1-6,9,12-13,16H,7-8,10-11H2,(H,26,29);3-9,12-13H,10-11H2,1-2H3,(H,25,29);3-10,12-13H,11H2,1-2H3,(H,25,28);2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyJBKKRBACVSXGTE-UHFFFAOYSA-N
MW2466.42 g/mol
LogP23.95
Rot. Bonds32

About N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide

N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide (PubChem CID 158867402) has the molecular formula C125H114F18N26O9 and a molecular weight of 2466.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide
PubChem CID158867402
Molecular FormulaC125H114F18N26O9
Molecular Weight2466.42 g/mol
Exact Mass2464.90
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide
SMILESCC(C)CNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CN(C)CCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.COCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(CCCc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NC1CCOCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1
InChIInChI=1S/C24H20F3N5O.2C21H19F3N4O2.C20H20F3N5O.C20H19F3N4O.C19H17F3N4O2/c25-24(26,27)21-14-20(18-9-5-13-28-15-18)31-32(21)22-12-11-19(16-29-22)30-23(33)10-4-8-17-6-2-1-3-7-17;22-21(23,24)19-12-18(15-2-1-9-25-13-15)28(27-19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;22-21(23,24)19-12-18(15-2-1-9-25-13-15)27-28(19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;1-27(2)11-10-25-19(29)14-5-7-16(8-6-14)28-18(20(21,22)23)12-17(26-28)15-4-3-9-24-13-15;1-13(2)11-25-19(28)14-5-7-16(8-6-14)27-18(20(21,22)23)10-17(26-27)15-4-3-9-24-12-15;1-28-10-9-24-18(27)13-4-6-15(7-5-13)26-17(19(20,21)22)11-16(25-26)14-3-2-8-23-12-14/h1-3,5-7,9,11-16H,4,8,10H2,(H,30,33);2*1-6,9,12-13,16H,7-8,10-11H2,(H,26,29);3-9,12-13H,10-11H2,1-2H3,(H,25,29);3-10,12-13H,11H2,1-2H3,(H,25,28);2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyJBKKRBACVSXGTE-UHFFFAOYSA-N
XLogP23.95
TPSA402.68 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.42
LogP ≤ 523.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide with MolForge

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Related Compounds

N-[3-[2-[1-[2-[2-[2-[3,5-dimethyl-1-[[2-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425732
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
4-[[4-[[(1S,2S)-2-[2-(dimethylamino)ethylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(oxan-4-ylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(oxolan-3-ylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157080118
1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid
CID 157109304
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 157124510
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
(7S)-N-(1,4-dioxan-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrazol-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-3-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157246629
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157404544
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157458865
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide (CID 158867402) is N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide is CC(C)CNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CN(C)CCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.COCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(CCCc1ccccc1)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NC1CCOCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NC1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide?
The InChIKey is JBKKRBACVSXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.2C21H19F3N4O2.C20H20F3N5O.C20H19F3N4O.C19H17F3N4O2/c25-24(26,27)21-14-20(18-9-5-13-28-15-18)31-32(21)22-12-11-19(16-29-22)30-23(33)10-4-8-17-6-2-1-3-7-17;22-21(23,24)19-12-18(15-2-1-9-25-13-15)28(27-19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;22-21(23,24)19-12-18(15-2-1-9-25-13-15)27-28(19)17-5-3-14(4-6-17)20(29)26-16-7-10-30-11-8-16;1-27(2)11-10-25-19(29)14-5-7-16(8-6-14)28-18(20(21,22)23)12-17(26-28)15-4-3-9-24-13-15;1-13(2)11-25-19(28)14-5-7-16(8-6-14)27-18(20(21,22)23)10-17(26-27)15-4-3-9-24-12-15;1-28-10-9-24-18(27)13-4-6-15(7-5-13)26-17(19(20,21)22)11-16(25-26)14-3-2-8-23-12-14/h1-3,5-7,9,11-16H,4,8,10H2,(H,30,33);2*1-6,9,12-13,16H,7-8,10-11H2,(H,26,29);3-9,12-13H,10-11H2,1-2H3,(H,25,29);3-10,12-13H,11H2,1-2H3,(H,25,28);2-8,11-12H,9-10H2,1H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide?
N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide has a molecular weight of 2466.42 g/mol, XLogP of 23.95, 32 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-methylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(oxan-4-yl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 158867402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).