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

C122H127ClF4N24O8 — CID 172988466

About 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

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 (PubChem CID 172988466) has the molecular formula C122H127ClF4N24O8 and a molecular weight of 2168.96 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-[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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172988466
• Molecular Formula: C122H127ClF4N24O8
• Molecular Weight: 2168.96 g/mol
• Exact Mass: 2166.99
• IUPAC Name: 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
• SMILES: CC(C)Cc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)Cc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
• InChI: InChI=1S/C31H32ClFN6O2.C31H33FN6O2.2C30H31FN6O2/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;1-21(2)16-25-17-27(35-26-9-6-22(7-10-26)23-4-3-5-28(39)18-23)11-8-24(25)19-34-37-31-33-20-29(32)30(36-31)38-12-14-40-15-13-38;1-20(2)27-17-25(34-24-9-6-21(7-10-24)22-4-3-5-26(38)16-22)11-8-23(27)18-33-36-30-32-19-28(31)29(35-30)37-12-14-39-15-13-37;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/h3-8,14-20,36,40H,9-13H2,1-2H3,(H,34,37,38);3-11,17-21,35,39H,12-16H2,1-2H3,(H,33,36,37);3-11,16-20,34,38H,12-15H2,1-2H3,(H,32,35,36);3,5-12,17-20,34,38H,2,4,13-16H2,1H3,(H,32,35,36)/b35-18+;34-19+;33-18+;33-19+
• InChIKey: PTSAYCMAVQELQY-APUJFIHZSA-N
• XLogP: 25.18
• TPSA: 379.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.96
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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-[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?

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-[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) is 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.

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-[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?

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-[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 is CC(C)Cc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)Cc1cc(Nc2cccc(-c3cccc(O)c3)c2)c(Cl)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)c1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCCc1cc(Nc2ccc(-c3cccc(O)c3)cc2)ccc1/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-[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?

The InChIKey is PTSAYCMAVQELQY-APUJFIHZSA-N. The full InChI is InChI=1S/C31H32ClFN6O2.C31H33FN6O2.2C30H31FN6O2/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;1-21(2)16-25-17-27(35-26-9-6-22(7-10-26)23-4-3-5-28(39)18-23)11-8-24(25)19-34-37-31-33-20-29(32)30(36-31)38-12-14-40-15-13-38;1-20(2)27-17-25(34-24-9-6-21(7-10-24)22-4-3-5-26(38)16-22)11-8-23(27)18-33-36-30-32-19-28(31)29(35-30)37-12-14-39-15-13-37;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/h3-8,14-20,36,40H,9-13H2,1-2H3,(H,34,37,38);3-11,17-21,35,39H,12-16H2,1-2H3,(H,33,36,37);3-11,16-20,34,38H,12-15H2,1-2H3,(H,32,35,36);3,5-12,17-20,34,38H,2,4,13-16H2,1H3,(H,32,35,36)/b35-18+;34-19+;33-18+;33-19+.

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-[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?

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 has a molecular weight of 2168.96 g/mol, XLogP of 25.18, 35 rotatable bonds, 12 hydrogen bond donors, and 32 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-[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 is sourced from PubChem (CID 172988466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).