3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol

C116H120F4N28O8 — CID 172920729

About 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol

3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol (PubChem CID 172920729) has the molecular formula C116H120F4N28O8 and a molecular weight of 2110.42 g/mol. Its IUPAC name is 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol.

Molecular Properties

• Compound Name: 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
• PubChem CID: 172920729
• Molecular Formula: C116H120F4N28O8
• Molecular Weight: 2110.42 g/mol
• Exact Mass: 2108.98
• IUPAC Name: 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
• SMILES: CCC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)c(C)n2)ncc1F.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3CC)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOC(C)C3)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1
• InChI: InChI=1S/C30H32FN7O2.2C29H30FN7O2.C28H28FN7O2/c1-3-24-19-40-15-14-38(24)29-26(31)18-32-30(36-29)37-33-17-23-12-13-28(27(4-2)35-23)34-22-10-8-20(9-11-22)21-6-5-7-25(39)16-21;1-3-24-18-39-14-13-37(24)28-26(30)17-31-29(35-28)36-32-16-23-11-12-27(19(2)33-23)34-22-9-7-20(8-10-22)21-5-4-6-25(38)15-21;1-3-26-27(33-22-9-7-20(8-10-22)21-5-4-6-24(38)15-21)12-11-23(34-26)16-32-36-29-31-17-25(30)28(35-29)37-13-14-39-18-19(37)2;1-18-17-36(12-13-38-18)27-25(29)16-30-28(34-27)35-31-15-23-10-11-26(19(2)32-23)33-22-8-6-20(7-9-22)21-4-3-5-24(37)14-21/h5-13,16-18,24,34,39H,3-4,14-15,19H2,1-2H3,(H,32,36,37);4-12,15-17,24,34,38H,3,13-14,18H2,1-2H3,(H,31,35,36);4-12,15-17,19,33,38H,3,13-14,18H2,1-2H3,(H,31,35,36);3-11,14-16,18,33,37H,12-13,17H2,1-2H3,(H,30,34,35)/b33-17+;2*32-16+;31-15+
• InChIKey: SANYLWQZZQJTDI-KHCKBADRSA-N
• XLogP: 21.71
• TPSA: 431.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.42
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

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-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol?

The IUPAC name of 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol (CID 172920729) is 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol.

What is the SMILES notation for 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol?

The canonical SMILES for 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol is CCC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)c(C)n2)ncc1F.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3CC)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOC(C)C3)n2)ccc1Nc1ccc(-c2cccc(O)c2)cc1.

What is the InChIKey of 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol?

The InChIKey is SANYLWQZZQJTDI-KHCKBADRSA-N. The full InChI is InChI=1S/C30H32FN7O2.2C29H30FN7O2.C28H28FN7O2/c1-3-24-19-40-15-14-38(24)29-26(31)18-32-30(36-29)37-33-17-23-12-13-28(27(4-2)35-23)34-22-10-8-20(9-11-22)21-6-5-7-25(39)16-21;1-3-24-18-39-14-13-37(24)28-26(30)17-31-29(35-28)36-32-16-23-11-12-27(19(2)33-23)34-22-9-7-20(8-10-22)21-5-4-6-25(38)15-21;1-3-26-27(33-22-9-7-20(8-10-22)21-5-4-6-24(38)15-21)12-11-23(34-26)16-32-36-29-31-17-25(30)28(35-29)37-13-14-39-18-19(37)2;1-18-17-36(12-13-38-18)27-25(29)16-30-28(34-27)35-31-15-23-10-11-26(19(2)32-23)33-22-8-6-20(7-9-22)21-4-3-5-24(37)14-21/h5-13,16-18,24,34,39H,3-4,14-15,19H2,1-2H3,(H,32,36,37);4-12,15-17,24,34,38H,3,13-14,18H2,1-2H3,(H,31,35,36);4-12,15-17,19,33,38H,3,13-14,18H2,1-2H3,(H,31,35,36);3-11,14-16,18,33,37H,12-13,17H2,1-2H3,(H,30,34,35)/b33-17+;2*32-16+;31-15+.

What are the key properties of 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol?

3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol has a molecular weight of 2110.42 g/mol, XLogP of 21.71, 32 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol is sourced from PubChem (CID 172920729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).