2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C133H135Cl3F19N41O11 — CID 172918578

IUPAC2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H31ClFN7O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b31-16+;27-13+;23-6+;25-5+;2*22-8-;21-8-
InChIKeyMCZZQAAKWCDJCK-VJOGHMGASA-N
MW2951.14 g/mol
LogP20.37
Rot. Bonds40

About 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172918578) has the molecular formula C133H135Cl3F19N41O11 and a molecular weight of 2951.14 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172918578
Molecular FormulaC133H135Cl3F19N41O11
Molecular Weight2951.14 g/mol
Exact Mass2948.00
IUPAC Name2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H31ClFN7O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b31-16+;27-13+;23-6+;25-5+;2*22-8-;21-8-
InChIKeyMCZZQAAKWCDJCK-VJOGHMGASA-N
XLogP20.37
TPSA567.96 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds40
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002951.14
LogP ≤ 520.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-[(E)-[[4-[4-[2-[4-[[3-chloro-4-[2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-4-yl]-5-methylphenyl]methyl]-1-methylpiperazin-2-yl]-2-hydroxyethyl]piperazin-1-yl]-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol
CID 137239927
3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 143727626
5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 157121016
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 157276475
2-Tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157522276
5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 157828685
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide
CID 158275388
N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
CID 158614446
4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 158788511
bis(5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide);5-[3-[(3-chloro-5-methylphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 158912538
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
CID 159058076
1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-chloro-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzamide;1-[3-chloro-2-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
CID 159326013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172918578) is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is MCZZQAAKWCDJCK-VJOGHMGASA-N. The full InChI is InChI=1S/C27H31ClFN7O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b31-16+;27-13+;23-6+;25-5+;2*22-8-;21-8-.
What are the key properties of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2951.14 g/mol, XLogP of 20.37, 40 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172918578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).