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;bis(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]-2-(trifluoromethyl)phenyl]phenol

C141H139F8N35O14 — CID 172922033

About 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;bis(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]-2-(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;bis(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]-2-(trifluoromethyl)phenyl]phenol (PubChem CID 172922033) has the molecular formula C141H139F8N35O14 and a molecular weight of 2699.88 g/mol. Its IUPAC name is 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;bis(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]-2-(trifluoromethyl)phenyl]phenol.

Molecular Properties

• Compound Name: 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;bis(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]-2-(trifluoromethyl)phenyl]phenol
• PubChem CID: 172922033
• Molecular Formula: C141H139F8N35O14
• Molecular Weight: 2699.88 g/mol
• Exact Mass: 2698.11
• IUPAC Name: 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;bis(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]-2-(trifluoromethyl)phenyl]phenol
• SMILES: CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(O)cc(-c2cccc(O)c2)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(O)cc(-c2ccccc2O)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(O)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(O)c1
• InChI: InChI=1S/C29H27F4N7O2.4C28H28FN7O3/c1-2-25-26(36-19-6-8-22(23(15-19)29(31,32)33)18-4-3-5-21(41)14-18)9-7-20(37-25)16-35-39-28-34-17-24(30)27(38-28)40-10-12-42-13-11-40;2*1-2-24-25(32-19-6-8-22(26(38)15-19)18-4-3-5-21(37)14-18)9-7-20(33-24)16-31-35-28-30-17-23(29)27(34-28)36-10-12-39-13-11-36;1-2-25-26(33-21-12-19(14-23(38)15-21)18-4-3-5-22(37)13-18)7-6-20(32-25)16-31-35-28-30-17-24(29)27(34-28)36-8-10-39-11-9-36;1-2-24-25(33-20-13-18(14-21(37)15-20)22-5-3-4-6-26(22)38)8-7-19(32-24)16-31-35-28-30-17-23(29)27(34-28)36-9-11-39-12-10-36/h3-9,14-17,36,41H,2,10-13H2,1H3,(H,34,38,39);2*3-9,14-17,32,37-38H,2,10-13H2,1H3,(H,30,34,35);3-7,12-17,33,37-38H,2,8-11H2,1H3,(H,30,34,35);3-8,13-17,33,37-38H,2,9-12H2,1H3,(H,30,34,35)/b35-16+;4*31-16+
• InChIKey: BDJZOWIRDFNPRB-WFWRGVGASA-N
• XLogP: 24.70
• TPSA: 619.87 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 40
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.88
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;bis(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]-2-(trifluoromethyl)phenyl]phenol?

The IUPAC name of 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;bis(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]-2-(trifluoromethyl)phenyl]phenol (CID 172922033) is 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;bis(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]-2-(trifluoromethyl)phenyl]phenol.

What is the SMILES notation for 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;bis(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]-2-(trifluoromethyl)phenyl]phenol?

The canonical SMILES for 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;bis(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]-2-(trifluoromethyl)phenyl]phenol is CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(O)cc(-c2cccc(O)c2)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(O)cc(-c2ccccc2O)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(C(F)(F)F)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(O)c1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1ccc(-c2cccc(O)c2)c(O)c1.

What is the InChIKey of 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;bis(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]-2-(trifluoromethyl)phenyl]phenol?

The InChIKey is BDJZOWIRDFNPRB-WFWRGVGASA-N. The full InChI is InChI=1S/C29H27F4N7O2.4C28H28FN7O3/c1-2-25-26(36-19-6-8-22(23(15-19)29(31,32)33)18-4-3-5-21(41)14-18)9-7-20(37-25)16-35-39-28-34-17-24(30)27(38-28)40-10-12-42-13-11-40;2*1-2-24-25(32-19-6-8-22(26(38)15-19)18-4-3-5-21(37)14-18)9-7-20(33-24)16-31-35-28-30-17-23(29)27(34-28)36-10-12-39-13-11-36;1-2-25-26(33-21-12-19(14-23(38)15-21)18-4-3-5-22(37)13-18)7-6-20(32-25)16-31-35-28-30-17-24(29)27(34-28)36-8-10-39-11-9-36;1-2-24-25(33-20-13-18(14-21(37)15-20)22-5-3-4-6-26(22)38)8-7-19(32-24)16-31-35-28-30-17-23(29)27(34-28)36-9-11-39-12-10-36/h3-9,14-17,36,41H,2,10-13H2,1H3,(H,34,38,39);2*3-9,14-17,32,37-38H,2,10-13H2,1H3,(H,30,34,35);3-7,12-17,33,37-38H,2,8-11H2,1H3,(H,30,34,35);3-8,13-17,33,37-38H,2,9-12H2,1H3,(H,30,34,35)/b35-16+;4*31-16+.

What are the key properties of 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;bis(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]-2-(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;bis(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]-2-(trifluoromethyl)phenyl]phenol has a molecular weight of 2699.88 g/mol, XLogP of 24.70, 40 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 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;bis(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]-2-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 172922033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).