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

C149H147ClF11N31O11 — CID 172928198

IUPAC3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
SMILESCCCc1cc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2cc(O)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C31H30F4N6O2.C30H29F4N7O2.C30H31FN6O2.C29H28ClFN6O2.C29H29FN6O3/c1-2-4-20-14-25(38-26-15-23(13-24(17-26)31(33,34)35)21-5-3-6-27(42)16-21)8-7-22(20)18-37-40-30-36-19-28(32)29(39-30)41-9-11-43-12-10-41;1-2-4-26-27(38-23-14-20(13-21(16-23)30(32,33)34)19-5-3-6-24(42)15-19)8-7-22(37-26)17-36-40-29-35-18-25(31)28(39-29)41-9-11-43-12-10-41;1-2-5-21-16-26(34-25-8-3-6-22(17-25)23-7-4-9-27(38)18-23)11-10-24(21)19-33-36-30-32-20-28(31)29(35-30)37-12-14-39-15-13-37;1-2-19-13-24(34-25-14-22(12-23(30)16-25)20-4-3-5-26(38)15-20)7-6-21(19)17-33-36-29-32-18-27(31)28(35-29)37-8-10-39-11-9-37;1-2-19-12-23(33-24-13-22(15-26(38)16-24)20-4-3-5-25(37)14-20)7-6-21(19)17-32-35-29-31-18-27(30)28(34-29)36-8-10-39-11-9-36/h3,5-8,13-19,38,42H,2,4,9-12H2,1H3,(H,36,39,40);3,5-8,13-18,38,42H,2,4,9-12H2,1H3,(H,35,39,40);3-4,6-11,16-20,34,38H,2,5,12-15H2,1H3,(H,32,35,36);3-7,12-18,34,38H,2,8-11H2,1H3,(H,32,35,36);3-7,12-18,33,37-38H,2,8-11H2,1H3,(H,31,34,35)/b37-18+;36-17+;33-19+;33-17+;32-17+
InChIKeyIWQWIUFTLMUDBM-NBPHOGEJSA-N
MW2792.45 g/mol
LogP30.85
Rot. Bonds43

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

3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol (PubChem CID 172928198) has the molecular formula C149H147ClF11N31O11 and a molecular weight of 2792.45 g/mol. Its IUPAC name is 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
PubChem CID172928198
Molecular FormulaC149H147ClF11N31O11
Molecular Weight2792.45 g/mol
Exact Mass2790.14
IUPAC Name3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
SMILESCCCc1cc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2cc(O)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C31H30F4N6O2.C30H29F4N7O2.C30H31FN6O2.C29H28ClFN6O2.C29H29FN6O3/c1-2-4-20-14-25(38-26-15-23(13-24(17-26)31(33,34)35)21-5-3-6-27(42)16-21)8-7-22(20)18-37-40-30-36-19-28(32)29(39-30)41-9-11-43-12-10-41;1-2-4-26-27(38-23-14-20(13-21(16-23)30(32,33)34)19-5-3-6-24(42)15-19)8-7-22(37-26)17-36-40-29-35-18-25(31)28(39-29)41-9-11-43-12-10-41;1-2-5-21-16-26(34-25-8-3-6-22(17-25)23-7-4-9-27(38)18-23)11-10-24(21)19-33-36-30-32-20-28(31)29(35-30)37-12-14-39-15-13-37;1-2-19-13-24(34-25-14-22(12-23(30)16-25)20-4-3-5-26(38)15-20)7-6-21(19)17-33-36-29-32-18-27(31)28(35-29)37-8-10-39-11-9-37;1-2-19-12-23(33-24-13-22(15-26(38)16-24)20-4-3-5-25(37)14-20)7-6-21(19)17-32-35-29-31-18-27(30)28(34-29)36-8-10-39-11-9-36/h3,5-8,13-19,38,42H,2,4,9-12H2,1H3,(H,36,39,40);3,5-8,13-18,38,42H,2,4,9-12H2,1H3,(H,35,39,40);3-4,6-11,16-20,34,38H,2,5,12-15H2,1H3,(H,32,35,36);3-7,12-18,34,38H,2,8-11H2,1H3,(H,32,35,36);3-7,12-18,33,37-38H,2,8-11H2,1H3,(H,31,34,35)/b37-18+;36-17+;33-19+;33-17+;32-17+
InChIKeyIWQWIUFTLMUDBM-NBPHOGEJSA-N
XLogP30.85
TPSA507.62 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002792.45
LogP ≤ 530.85
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 58876840
3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(trifluoromethyl)phenyl]phenol;3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(2-hydroxyphenyl)phenol;3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-hydroxyphenyl)phenol;5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-(3-hydroxyphenyl)phenol
CID 172940806
3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58877270
3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine
CID 172955377
3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol
CID 58877110
5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-(3-hydroxyphenyl)phenol;3-[4-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-(trifluoromethyl)phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]-2-(trifluoromethyl)phenyl]phenol
CID 172963561
2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)anilino]benzohydrazide;2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]benzohydrazide;6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-propylbenzohydrazide
CID 160975093
3-[3-[2-chloro-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(2-methylpropyl)anilino]phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propan-2-ylanilino]phenyl]phenol;3-[4-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol
CID 172988466
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)anilino]benzohydrazide;2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]benzohydrazide;6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide
CID 159902818
3-[3-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol
CID 91355417
2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)anilino]benzohydrazide;2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]benzohydrazide;6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]-6-propan-2-ylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-propylbenzohydrazide
CID 159389928
5-chloro-2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(3-hydroxyphenyl)anilino]benzohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-(2-methylpropyl)benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-hydroxy-5-(3-hydroxyphenyl)anilino]-2-propan-2-ylbenzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]-6-propan-2-ylpyridine-2-carbohydrazide
CID 159157109

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol (CID 172928198) is 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol is CCCc1cc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2cccc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2cc(O)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The InChIKey is IWQWIUFTLMUDBM-NBPHOGEJSA-N. The full InChI is InChI=1S/C31H30F4N6O2.C30H29F4N7O2.C30H31FN6O2.C29H28ClFN6O2.C29H29FN6O3/c1-2-4-20-14-25(38-26-15-23(13-24(17-26)31(33,34)35)21-5-3-6-27(42)16-21)8-7-22(20)18-37-40-30-36-19-28(32)29(39-30)41-9-11-43-12-10-41;1-2-4-26-27(38-23-14-20(13-21(16-23)30(32,33)34)19-5-3-6-24(42)15-19)8-7-22(37-26)17-36-40-29-35-18-25(31)28(39-29)41-9-11-43-12-10-41;1-2-5-21-16-26(34-25-8-3-6-22(17-25)23-7-4-9-27(38)18-23)11-10-24(21)19-33-36-30-32-20-28(31)29(35-30)37-12-14-39-15-13-37;1-2-19-13-24(34-25-14-22(12-23(30)16-25)20-4-3-5-26(38)15-20)7-6-21(19)17-33-36-29-32-18-27(31)28(35-29)37-8-10-39-11-9-37;1-2-19-12-23(33-24-13-22(15-26(38)16-24)20-4-3-5-25(37)14-20)7-6-21(19)17-32-35-29-31-18-27(30)28(34-29)36-8-10-39-11-9-36/h3,5-8,13-19,38,42H,2,4,9-12H2,1H3,(H,36,39,40);3,5-8,13-18,38,42H,2,4,9-12H2,1H3,(H,35,39,40);3-4,6-11,16-20,34,38H,2,5,12-15H2,1H3,(H,32,35,36);3-7,12-18,34,38H,2,8-11H2,1H3,(H,32,35,36);3-7,12-18,33,37-38H,2,8-11H2,1H3,(H,31,34,35)/b37-18+;36-17+;33-19+;33-17+;32-17+.
What are the key properties of 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 2792.45 g/mol, XLogP of 30.85, 43 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol;3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]-5-(3-hydroxyphenyl)phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propyl-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 172928198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).