2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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

C136H155Cl4F11N38O7 — CID 172928971

IUPAC2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H30F4N8O.C26H31FN8O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32)/b33-15+;35-15+;32-16+;34-16+;30-17+
InChIKeyOCQIMQFFYWIIJF-UKUDNKIESA-N
MW2784.78 g/mol
LogP19.43
Rot. Bonds35

About 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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

2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 (PubChem CID 172928971) has the molecular formula C136H155Cl4F11N38O7 and a molecular weight of 2784.78 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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.

Molecular Properties

Compound Name2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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
PubChem CID172928971
Molecular FormulaC136H155Cl4F11N38O7
Molecular Weight2784.78 g/mol
Exact Mass2781.15
IUPAC Name2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H30F4N8O.C26H31FN8O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32)/b33-15+;35-15+;32-16+;34-16+;30-17+
InChIKeyOCQIMQFFYWIIJF-UKUDNKIESA-N
XLogP19.43
TPSA424.73 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds35
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.78
LogP ≤ 519.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

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-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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?
The IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 (CID 172928971) is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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.
What is the SMILES notation for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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?
The canonical SMILES for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.
What is the InChIKey of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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?
The InChIKey is OCQIMQFFYWIIJF-UKUDNKIESA-N. The full InChI is InChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H30F4N8O.C26H31FN8O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32)/b33-15+;35-15+;32-16+;34-16+;30-17+.
What are the key properties of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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?
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 has a molecular weight of 2784.78 g/mol, XLogP of 19.43, 35 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]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;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;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 is sourced from PubChem (CID 172928971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).