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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C130H140Cl2F20N40O8 — CID 172920113

IUPAC2-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(CCc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)CC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(Nc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C28H31ClF4N8O2.C28H33F4N9O.C27H31F4N9O.C25H26F4N8O2.C22H19ClF4N6O2/c1-39-6-8-40(9-7-39)17-19-2-4-20(14-21(19)28(31,32)33)36-23-5-3-18(25(42)24(23)29)15-35-38-27-34-16-22(30)26(37-27)41-10-12-43-13-11-41;1-39-6-8-40(9-7-39)5-4-20-14-21(28(30,31)32)16-24(15-20)36-23-3-2-22(33-17-23)18-35-38-27-34-19-25(29)26(37-27)41-10-12-42-13-11-41;1-38-6-8-39(9-7-38)18-19-2-3-20(14-23(19)27(29,30)31)35-22-5-4-21(32-15-22)16-34-37-26-33-17-24(28)25(36-26)40-10-12-41-13-11-40;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22;23-18-17(30-15-3-1-2-14(10-15)22(25,26)27)5-4-13(19(18)34)11-29-32-21-28-12-16(24)20(31-21)33-6-8-35-9-7-33/h2-5,14-16,36,42H,6-13,17H2,1H3,(H,34,37,38);2-3,14-19,36H,4-13H2,1H3,(H,34,37,38);2-5,14-17,35H,6-13,18H2,1H3,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36);1-5,10-12,30,34H,6-9H2,(H,28,31,32)/b35-15+;35-18+;34-16+;33-13+;29-11-
InChIKeyVNEYKWUYSCOXMB-WQNCFPHDSA-N
MW2841.69 g/mol
LogP21.15
Rot. Bonds38

About 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172920113) has the molecular formula C130H140Cl2F20N40O8 and a molecular weight of 2841.69 g/mol. Its IUPAC name is 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name2-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172920113
Molecular FormulaC130H140Cl2F20N40O8
Molecular Weight2841.69 g/mol
Exact Mass2839.08
IUPAC Name2-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(CCc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)CC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(Nc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C28H31ClF4N8O2.C28H33F4N9O.C27H31F4N9O.C25H26F4N8O2.C22H19ClF4N6O2/c1-39-6-8-40(9-7-39)17-19-2-4-20(14-21(19)28(31,32)33)36-23-5-3-18(25(42)24(23)29)15-35-38-27-34-16-22(30)26(37-27)41-10-12-43-13-11-41;1-39-6-8-40(9-7-39)5-4-20-14-21(28(30,31)32)16-24(15-20)36-23-3-2-22(33-17-23)18-35-38-27-34-19-25(29)26(37-27)41-10-12-42-13-11-41;1-38-6-8-39(9-7-38)18-19-2-3-20(14-23(19)27(29,30)31)35-22-5-4-21(32-15-22)16-34-37-26-33-17-24(28)25(36-26)40-10-12-41-13-11-40;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22;23-18-17(30-15-3-1-2-14(10-15)22(25,26)27)5-4-13(19(18)34)11-29-32-21-28-12-16(24)20(31-21)33-6-8-35-9-7-33/h2-5,14-16,36,42H,6-13,17H2,1H3,(H,34,37,38);2-3,14-19,36H,4-13H2,1H3,(H,34,37,38);2-5,14-17,35H,6-13,18H2,1H3,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36);1-5,10-12,30,34H,6-9H2,(H,28,31,32)/b35-15+;35-18+;34-16+;33-13+;29-11-
InChIKeyVNEYKWUYSCOXMB-WQNCFPHDSA-N
XLogP21.15
TPSA493.18 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002841.69
LogP ≤ 521.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

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]-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Related Compounds

2-Chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol
CID 91421336
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol
CID 136094068
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
CID 136094087
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
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[[(3Z,5Z)-7,7,7-trifluoro-6-methyl-5-[(4-methylpiperazin-1-yl)methyl]hepta-1,3,5-trien-2-yl]amino]phenol
CID 143431154
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 158065722
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
N-(Hydrogenated tallow alkyl)trimethylenediamine
CID 171706622
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

Frequently Asked Questions

What is the IUPAC name of 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172920113) is 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-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]-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CN1CCN(CCc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)CC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Oc1c(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc(Nc2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is VNEYKWUYSCOXMB-WQNCFPHDSA-N. The full InChI is InChI=1S/C28H31ClF4N8O2.C28H33F4N9O.C27H31F4N9O.C25H26F4N8O2.C22H19ClF4N6O2/c1-39-6-8-40(9-7-39)17-19-2-4-20(14-21(19)28(31,32)33)36-23-5-3-18(25(42)24(23)29)15-35-38-27-34-16-22(30)26(37-27)41-10-12-43-13-11-41;1-39-6-8-40(9-7-39)5-4-20-14-21(28(30,31)32)16-24(15-20)36-23-3-2-22(33-17-23)18-35-38-27-34-19-25(29)26(37-27)41-10-12-42-13-11-41;1-38-6-8-39(9-7-38)18-19-2-3-20(14-23(19)27(29,30)31)35-22-5-4-21(32-15-22)16-34-37-26-33-17-24(28)25(36-26)40-10-12-41-13-11-40;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22;23-18-17(30-15-3-1-2-14(10-15)22(25,26)27)5-4-13(19(18)34)11-29-32-21-28-12-16(24)20(31-21)33-6-8-35-9-7-33/h2-5,14-16,36,42H,6-13,17H2,1H3,(H,34,37,38);2-3,14-19,36H,4-13H2,1H3,(H,34,37,38);2-5,14-17,35H,6-13,18H2,1H3,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36);1-5,10-12,30,34H,6-9H2,(H,28,31,32)/b35-15+;35-18+;34-16+;33-13+;29-11-.
What are the key properties of 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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2841.69 g/mol, XLogP of 21.15, 38 rotatable bonds, 13 hydrogen bond donors, and 48 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]-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]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172920113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).