2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol

C159H179Cl4F12N41O10 — CID 172918546

IUPAC2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(/C=N/Nc4cc(N5CCOCC5)c(F)cn4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3cc(Cl)c(O)c(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.OCCN1CCN(c2cc(N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)ncc2F)CC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C29H36ClFN8O2.C28H33ClFN7O2.C28H32ClFN6O2.C28H36FN9O.C24H24F4N6O.C22H18ClF4N5O2/c1-36-6-8-38(9-7-36)20-21-2-4-22(5-3-21)23-16-24(27(41)25(30)17-23)18-33-35-29-32-19-26(31)28(34-29)39-12-10-37(11-13-39)14-15-40;1-35-6-8-36(9-7-35)19-20-2-4-22(5-3-20)33-23-14-21(27(38)24(29)15-23)16-31-18-26-32-17-25(30)28(34-26)37-10-12-39-13-11-37;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)23-7-6-22(28(37)27(23)29)17-32-33-26-16-25(24(30)18-31-26)36-12-14-38-15-13-36;1-35-8-10-37(11-9-35)21-22-2-4-23(5-3-22)24-6-7-30-25(18-24)19-32-34-28-31-20-26(29)27(33-28)38-14-12-36(13-15-38)16-17-39;25-21-16-30-23(13-22(21)34-8-6-33(7-9-34)10-11-35)32-31-15-20-5-4-18(14-29-20)17-2-1-3-19(12-17)24(26,27)28;23-18-16(13-2-1-3-15(10-13)22(25,26)27)5-4-14(19(18)33)11-29-31-21-28-12-17(24)20(30-21)32-6-8-34-9-7-32/h2-5,16-19,40-41H,6-15,20H2,1H3,(H,32,34,35);2-5,14-17,33,38H,6-13,18-19H2,1H3;2-7,16-18,37H,8-15,19H2,1H3,(H,31,33);2-7,18-20,39H,8-17,21H2,1H3,(H,31,33,34);1-5,12-16,35H,6-11H2,(H,30,32);1-5,10-12,33H,6-9H2,(H,28,30,31)/b33-18+;31-16+;32-17+;32-19+;31-15+;29-11-
InChIKeyBXRUBKMQSOHZSA-HJMQIOHYSA-N
MW3194.25 g/mol
LogP21.94
Rot. Bonds45

About 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol

2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 172918546) has the molecular formula C159H179Cl4F12N41O10 and a molecular weight of 3194.25 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol
PubChem CID172918546
Molecular FormulaC159H179Cl4F12N41O10
Molecular Weight3194.25 g/mol
Exact Mass3190.33
IUPAC Name2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(/C=N/Nc4cc(N5CCOCC5)c(F)cn4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3cc(Cl)c(O)c(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.OCCN1CCN(c2cc(N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)ncc2F)CC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C29H36ClFN8O2.C28H33ClFN7O2.C28H32ClFN6O2.C28H36FN9O.C24H24F4N6O.C22H18ClF4N5O2/c1-36-6-8-38(9-7-36)20-21-2-4-22(5-3-21)23-16-24(27(41)25(30)17-23)18-33-35-29-32-19-26(31)28(34-29)39-12-10-37(11-13-39)14-15-40;1-35-6-8-36(9-7-35)19-20-2-4-22(5-3-20)33-23-14-21(27(38)24(29)15-23)16-31-18-26-32-17-25(30)28(34-26)37-10-12-39-13-11-37;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)23-7-6-22(28(37)27(23)29)17-32-33-26-16-25(24(30)18-31-26)36-12-14-38-15-13-36;1-35-8-10-37(11-9-35)21-22-2-4-23(5-3-22)24-6-7-30-25(18-24)19-32-34-28-31-20-26(29)27(33-28)38-14-12-36(13-15-38)16-17-39;25-21-16-30-23(13-22(21)34-8-6-33(7-9-34)10-11-35)32-31-15-20-5-4-18(14-29-20)17-2-1-3-19(12-17)24(26,27)28;23-18-16(13-2-1-3-15(10-13)22(25,26)27)5-4-14(19(18)33)11-29-31-21-28-12-17(24)20(30-21)32-6-8-34-9-7-32/h2-5,16-19,40-41H,6-15,20H2,1H3,(H,32,34,35);2-5,14-17,33,38H,6-13,18-19H2,1H3;2-7,16-18,37H,8-15,19H2,1H3,(H,31,33);2-7,18-20,39H,8-17,21H2,1H3,(H,31,33,34);1-5,12-16,35H,6-11H2,(H,30,32);1-5,10-12,33H,6-9H2,(H,28,30,31)/b33-18+;31-16+;32-17+;32-19+;31-15+;29-11-
InChIKeyBXRUBKMQSOHZSA-HJMQIOHYSA-N
XLogP21.94
TPSA525.40 Ų
H-Bond Donors13
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.25
LogP ≤ 521.94
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol
CID 136094090
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
CID 157706156
CID 157706156
3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-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)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide
CID 159015299
2-chloro-4-(2-chloro-6-methylanilino)-6-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]methyliminomethyl]phenol;2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]methyliminomethyl]-4-[3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine;2-[4-[5-fluoro-2-[[[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 159555211
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]methyliminomethyl]-4-[3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine
CID 160828333
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]methyliminomethyl]-4-[3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine
CID 162204577
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine
CID 162261786
2-chloro-6-[(Z)-[[3-[2-[[4-[[4-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-hydroxyphenyl]phenyl]methyl]piperazin-1-yl]methyl]morpholin-4-yl]-4-fluorophenyl]hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol
CID 166651058
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 172916781
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)anilino]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[5-fluoro-2-[(2E)-2-[[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 172917793
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172918057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol (CID 172918546) is 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(/C=N/Nc4cc(N5CCOCC5)c(F)cn4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3cc(Cl)c(O)c(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.OCCN1CCN(c2cc(N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)ncc2F)CC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(-c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is BXRUBKMQSOHZSA-HJMQIOHYSA-N. The full InChI is InChI=1S/C29H36ClFN8O2.C28H33ClFN7O2.C28H32ClFN6O2.C28H36FN9O.C24H24F4N6O.C22H18ClF4N5O2/c1-36-6-8-38(9-7-36)20-21-2-4-22(5-3-21)23-16-24(27(41)25(30)17-23)18-33-35-29-32-19-26(31)28(34-29)39-12-10-37(11-13-39)14-15-40;1-35-6-8-36(9-7-35)19-20-2-4-22(5-3-20)33-23-14-21(27(38)24(29)15-23)16-31-18-26-32-17-25(30)28(34-26)37-10-12-39-13-11-37;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)23-7-6-22(28(37)27(23)29)17-32-33-26-16-25(24(30)18-31-26)36-12-14-38-15-13-36;1-35-8-10-37(11-9-35)21-22-2-4-23(5-3-22)24-6-7-30-25(18-24)19-32-34-28-31-20-26(29)27(33-28)38-14-12-36(13-15-38)16-17-39;25-21-16-30-23(13-22(21)34-8-6-33(7-9-34)10-11-35)32-31-15-20-5-4-18(14-29-20)17-2-1-3-19(12-17)24(26,27)28;23-18-16(13-2-1-3-15(10-13)22(25,26)27)5-4-14(19(18)33)11-29-31-21-28-12-17(24)20(30-21)32-6-8-34-9-7-32/h2-5,16-19,40-41H,6-15,20H2,1H3,(H,32,34,35);2-5,14-17,33,38H,6-13,18-19H2,1H3;2-7,16-18,37H,8-15,19H2,1H3,(H,31,33);2-7,18-20,39H,8-17,21H2,1H3,(H,31,33,34);1-5,12-16,35H,6-11H2,(H,30,32);1-5,10-12,33H,6-9H2,(H,28,30,31)/b33-18+;31-16+;32-17+;32-19+;31-15+;29-11-.
What are the key properties of 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol?
2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 3194.25 g/mol, XLogP of 21.94, 45 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-[4-[5-fluoro-2-[(2E)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydrazinyl]-4-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 172918546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).