3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol

C180H182Cl3F9N38O12 — CID 172922078

IUPAC3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol
SMILESCC(C)Cc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(-c2cccc(O)c2)c1.CCCc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C31H32ClFN6O2.2C30H30ClFN6O2.C30H29F4N7O2.C30H31FN6O2.C29H30FN7O2/c1-20(2)13-23-17-29(36-25-7-3-5-21(14-25)22-6-4-8-26(40)15-22)27(32)16-24(23)18-35-38-31-34-19-28(33)30(37-31)39-9-11-41-12-10-39;1-19(2)25-16-28(35-23-7-3-5-20(13-23)21-6-4-8-24(39)14-21)26(31)15-22(25)17-34-37-30-33-18-27(32)29(36-30)38-9-11-40-12-10-38;1-2-5-20-17-28(35-24-8-3-6-21(14-24)22-7-4-9-25(39)15-22)26(31)16-23(20)18-34-37-30-33-19-27(32)29(36-30)38-10-12-40-13-11-38;1-18(2)27-26(37-23-13-20(12-21(15-23)30(32,33)34)19-4-3-5-24(42)14-19)7-6-22(38-27)16-36-40-29-35-17-25(31)28(39-29)41-8-10-43-11-9-41;1-2-4-22-17-26(34-25-10-7-21(8-11-25)23-5-3-6-27(38)18-23)12-9-24(22)19-33-36-30-32-20-28(31)29(35-30)37-13-15-39-16-14-37;1-19(2)27-26(33-22-7-3-5-20(15-22)21-6-4-8-24(38)16-21)10-9-23(34-27)17-32-36-29-31-18-25(30)28(35-29)37-11-13-39-14-12-37/h3-8,14-20,36,40H,9-13H2,1-2H3,(H,34,37,38);3-8,13-19,35,39H,9-12H2,1-2H3,(H,33,36,37);3-4,6-9,14-19,35,39H,2,5,10-13H2,1H3,(H,33,36,37);3-7,12-18,37,42H,8-11H2,1-2H3,(H,35,39,40);3,5-12,17-20,34,38H,2,4,13-16H2,1H3,(H,32,35,36);3-10,15-19,33,38H,11-14H2,1-2H3,(H,31,35,36)/b35-18+;34-17+;34-18+;36-16+;33-19+;32-17+
InChIKeyBEFVDSWKZBJRFF-DHDWXGHASA-N
MW3347.03 g/mol
LogP38.33
Rot. Bonds51

About 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol

3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol (PubChem CID 172922078) has the molecular formula C180H182Cl3F9N38O12 and a molecular weight of 3347.03 g/mol. Its IUPAC name is 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol.

Molecular Properties

Compound Name3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol
PubChem CID172922078
Molecular FormulaC180H182Cl3F9N38O12
Molecular Weight3347.03 g/mol
Exact Mass3343.37
IUPAC Name3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol
SMILESCC(C)Cc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(-c2cccc(O)c2)c1.CCCc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C31H32ClFN6O2.2C30H30ClFN6O2.C30H29F4N7O2.C30H31FN6O2.C29H30FN7O2/c1-20(2)13-23-17-29(36-25-7-3-5-21(14-25)22-6-4-8-26(40)15-22)27(32)16-24(23)18-35-38-31-34-19-28(33)30(37-31)39-9-11-41-12-10-39;1-19(2)25-16-28(35-23-7-3-5-20(13-23)21-6-4-8-24(39)14-21)26(31)15-22(25)17-34-37-30-33-18-27(32)29(36-30)38-9-11-40-12-10-38;1-2-5-20-17-28(35-24-8-3-6-21(14-24)22-7-4-9-25(39)15-22)26(31)16-23(20)18-34-37-30-33-19-27(32)29(36-30)38-10-12-40-13-11-38;1-18(2)27-26(37-23-13-20(12-21(15-23)30(32,33)34)19-4-3-5-24(42)14-19)7-6-22(38-27)16-36-40-29-35-17-25(31)28(39-29)41-8-10-43-11-9-41;1-2-4-22-17-26(34-25-10-7-21(8-11-25)23-5-3-6-27(38)18-23)12-9-24(22)19-33-36-30-32-20-28(31)29(35-30)37-13-15-39-16-14-37;1-19(2)27-26(33-22-7-3-5-20(15-22)21-6-4-8-24(38)16-21)10-9-23(34-27)17-32-36-29-31-18-25(30)28(35-29)37-11-13-39-14-12-37/h3-8,14-20,36,40H,9-13H2,1-2H3,(H,34,37,38);3-8,13-19,35,39H,9-12H2,1-2H3,(H,33,36,37);3-4,6-9,14-19,35,39H,2,5,10-13H2,1H3,(H,33,36,37);3-7,12-18,37,42H,8-11H2,1-2H3,(H,35,39,40);3,5-12,17-20,34,38H,2,4,13-16H2,1H3,(H,32,35,36);3-10,15-19,33,38H,11-14H2,1-2H3,(H,31,35,36)/b35-18+;34-17+;34-18+;36-16+;33-19+;32-17+
InChIKeyBEFVDSWKZBJRFF-DHDWXGHASA-N
XLogP38.33
TPSA595.18 Ų
H-Bond Donors18
H-Bond Acceptors50
Rotatable Bonds51
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003347.03
LogP ≤ 538.33
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]methyl]phenol
CID 57945926
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-ylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 57945940
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylpyridin-3-yl]amino]-2-(trifluoromethyl)phenyl]phenol
CID 57945947
3-[[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-6-methylphenyl]methyl]phenol
CID 57945992
3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 57946021
3-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876774
3-[4-[[4-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol
CID 58876783
3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58876791
3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol
CID 58876800
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 58876840
3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876927
3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 58877045

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol?
The IUPAC name of 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol (CID 172922078) is 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol.
What is the SMILES notation for 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol?
The canonical SMILES for 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol is CC(C)Cc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CC(C)c1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(-c2cccc(O)c2)c1.CCCc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol?
The InChIKey is BEFVDSWKZBJRFF-DHDWXGHASA-N. The full InChI is InChI=1S/C31H32ClFN6O2.2C30H30ClFN6O2.C30H29F4N7O2.C30H31FN6O2.C29H30FN7O2/c1-20(2)13-23-17-29(36-25-7-3-5-21(14-25)22-6-4-8-26(40)15-22)27(32)16-24(23)18-35-38-31-34-19-28(33)30(37-31)39-9-11-41-12-10-39;1-19(2)25-16-28(35-23-7-3-5-20(13-23)21-6-4-8-24(39)14-21)26(31)15-22(25)17-34-37-30-33-18-27(32)29(36-30)38-9-11-40-12-10-38;1-2-5-20-17-28(35-24-8-3-6-21(14-24)22-7-4-9-25(39)15-22)26(31)16-23(20)18-34-37-30-33-19-27(32)29(36-30)38-10-12-40-13-11-38;1-18(2)27-26(37-23-13-20(12-21(15-23)30(32,33)34)19-4-3-5-24(42)14-19)7-6-22(38-27)16-36-40-29-35-17-25(31)28(39-29)41-8-10-43-11-9-41;1-2-4-22-17-26(34-25-10-7-21(8-11-25)23-5-3-6-27(38)18-23)12-9-24(22)19-33-36-30-32-20-28(31)29(35-30)37-13-15-39-16-14-37;1-19(2)27-26(33-22-7-3-5-20(15-22)21-6-4-8-24(38)16-21)10-9-23(34-27)17-32-36-29-31-18-25(30)28(35-29)37-11-13-39-14-12-37/h3-8,14-20,36,40H,9-13H2,1-2H3,(H,34,37,38);3-8,13-19,35,39H,9-12H2,1-2H3,(H,33,36,37);3-4,6-9,14-19,35,39H,2,5,10-13H2,1H3,(H,33,36,37);3-7,12-18,37,42H,8-11H2,1-2H3,(H,35,39,40);3,5-12,17-20,34,38H,2,4,13-16H2,1H3,(H,32,35,36);3-10,15-19,33,38H,11-14H2,1-2H3,(H,31,35,36)/b35-18+;34-17+;34-18+;36-16+;33-19+;32-17+.
What are the key properties of 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol?
3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol has a molecular weight of 3347.03 g/mol, XLogP of 38.33, 51 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylanilino]phenyl]phenol;3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-propylanilino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol is sourced from PubChem (CID 172922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).