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

C113H106Cl2F10N28O8 — CID 172931207

IUPAC2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
SMILESCCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2ccccc2O)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1
InChIInChI=1S/2C29H27F4N7O2.C28H27ClFN7O2.C27H25ClFN7O2/c1-2-25-26(37-22-13-19(12-20(15-22)29(31,32)33)18-4-3-5-23(41)14-18)7-6-21(36-25)16-35-39-28-34-17-24(30)27(38-28)40-8-10-42-11-9-40;1-2-24-25(37-21-14-18(13-19(15-21)29(31,32)33)22-5-3-4-6-26(22)41)8-7-20(36-24)16-35-39-28-34-17-23(30)27(38-28)40-9-11-42-12-10-40;1-2-24-25(34-21-14-18(13-19(29)15-21)22-5-3-4-6-26(22)38)8-7-20(33-24)16-32-36-28-31-17-23(30)27(35-28)37-9-11-39-12-10-37;1-17-24(33-21-13-18(12-19(28)14-21)22-4-2-3-5-25(22)37)7-6-20(32-17)15-31-35-27-30-16-23(29)26(34-27)36-8-10-38-11-9-36/h3-7,12-17,37,41H,2,8-11H2,1H3,(H,34,38,39);3-8,13-17,37,41H,2,9-12H2,1H3,(H,34,38,39);3-8,13-17,34,38H,2,9-12H2,1H3,(H,31,35,36);2-7,12-16,33,37H,8-11H2,1H3,(H,30,34,35)/b2*35-16+;32-16+;31-15+
InChIKeyQPYIHZQFXICKRB-YWZKGZQOSA-N
MW2245.16 g/mol
LogP22.98
Rot. Bonds31

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

2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol (PubChem CID 172931207) has the molecular formula C113H106Cl2F10N28O8 and a molecular weight of 2245.16 g/mol. Its IUPAC name is 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
PubChem CID172931207
Molecular FormulaC113H106Cl2F10N28O8
Molecular Weight2245.16 g/mol
Exact Mass2242.80
IUPAC Name2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol
SMILESCCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2ccccc2O)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1
InChIInChI=1S/2C29H27F4N7O2.C28H27ClFN7O2.C27H25ClFN7O2/c1-2-25-26(37-22-13-19(12-20(15-22)29(31,32)33)18-4-3-5-23(41)14-18)7-6-21(36-25)16-35-39-28-34-17-24(30)27(38-28)40-8-10-42-11-9-40;1-2-24-25(37-21-14-18(13-19(15-21)29(31,32)33)22-5-3-4-6-26(22)41)8-7-20(36-24)16-35-39-28-34-17-23(30)27(38-28)40-9-11-42-12-10-40;1-2-24-25(34-21-14-18(13-19(29)15-21)22-5-3-4-6-26(22)38)8-7-20(33-24)16-32-36-28-31-17-23(30)27(35-28)37-9-11-39-12-10-37;1-17-24(33-21-13-18(12-19(28)14-21)22-4-2-3-5-25(22)37)7-6-20(32-17)15-31-35-27-30-16-23(29)26(34-27)36-8-10-38-11-9-36/h3-7,12-17,37,41H,2,8-11H2,1H3,(H,34,38,39);3-8,13-17,37,41H,2,9-12H2,1H3,(H,34,38,39);3-8,13-17,34,38H,2,9-12H2,1H3,(H,31,35,36);2-7,12-16,33,37H,8-11H2,1H3,(H,30,34,35)/b2*35-16+;32-16+;31-15+
InChIKeyQPYIHZQFXICKRB-YWZKGZQOSA-N
XLogP22.98
TPSA431.16 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002245.16
LogP ≤ 522.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol (CID 172931207) is 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol is CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2cccc(O)c2)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(-c2ccccc2O)cc(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2ccccc2O)c1.
What is the InChIKey of 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
The InChIKey is QPYIHZQFXICKRB-YWZKGZQOSA-N. The full InChI is InChI=1S/2C29H27F4N7O2.C28H27ClFN7O2.C27H25ClFN7O2/c1-2-25-26(37-22-13-19(12-20(15-22)29(31,32)33)18-4-3-5-23(41)14-18)7-6-21(36-25)16-35-39-28-34-17-24(30)27(38-28)40-8-10-42-11-9-40;1-2-24-25(37-21-14-18(13-19(15-21)29(31,32)33)22-5-3-4-6-26(22)41)8-7-20(36-24)16-35-39-28-34-17-23(30)27(38-28)40-9-11-42-12-10-40;1-2-24-25(34-21-14-18(13-19(29)15-21)22-5-3-4-6-26(22)38)8-7-20(33-24)16-32-36-28-31-17-23(30)27(35-28)37-9-11-39-12-10-37;1-17-24(33-21-13-18(12-19(28)14-21)22-4-2-3-5-25(22)37)7-6-20(32-17)15-31-35-27-30-16-23(29)26(34-27)36-8-10-38-11-9-36/h3-7,12-17,37,41H,2,8-11H2,1H3,(H,34,38,39);3-8,13-17,37,41H,2,9-12H2,1H3,(H,34,38,39);3-8,13-17,34,38H,2,9-12H2,1H3,(H,31,35,36);2-7,12-16,33,37H,8-11H2,1H3,(H,30,34,35)/b2*35-16+;32-16+;31-15+.
What are the key properties of 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol?
2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 2245.16 g/mol, XLogP of 22.98, 31 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;2-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol;3-[3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 172931207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).