3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide

C49H49Cl2F5N12O6 — CID 143727626

About 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide

3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 143727626) has the molecular formula C49H49Cl2F5N12O6 and a molecular weight of 1067.90 g/mol. Its IUPAC name is 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

• Compound Name: 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide
• PubChem CID: 143727626
• Molecular Formula: C49H49Cl2F5N12O6
• Molecular Weight: 1067.90 g/mol
• Exact Mass: 1066.32
• IUPAC Name: 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide
• SMILES: CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)c(Cl)c1O
• InChI: InChI=1S/C27H31ClFN7O3.C22H18ClF4N5O3/c1-34-6-8-35(9-7-34)17-18-2-4-19(5-3-18)20-14-21(24(37)22(28)15-20)26(38)32-33-27-30-16-23(29)25(31-27)36-10-12-39-13-11-36;23-17-14(12-2-1-3-13(10-12)22(25,26)27)4-5-15(18(17)33)20(34)30-31-21-28-11-16(24)19(29-21)32-6-8-35-9-7-32/h2-5,14-16,37H,6-13,17H2,1H3,(H,32,38)(H,30,31,33);1-5,10-11,33H,6-9H2,(H,30,34)(H,28,29,31)
• InChIKey: PYHJZNIQYHZQSA-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 205.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1067.90
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide?

The IUPAC name of 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide (CID 143727626) is 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide.

What is the SMILES notation for 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide?

The canonical SMILES for 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)c(Cl)c1O.

What is the InChIKey of 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide?

The InChIKey is PYHJZNIQYHZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN7O3.C22H18ClF4N5O3/c1-34-6-8-35(9-7-34)17-18-2-4-19(5-3-18)20-14-21(24(37)22(28)15-20)26(38)32-33-27-30-16-23(29)25(31-27)36-10-12-39-13-11-36;23-17-14(12-2-1-3-13(10-12)22(25,26)27)4-5-15(18(17)33)20(34)30-31-21-28-11-16(24)19(29-21)32-6-8-35-9-7-32/h2-5,14-16,37H,6-13,17H2,1H3,(H,32,38)(H,30,31,33);1-5,10-11,33H,6-9H2,(H,30,34)(H,28,29,31).

What are the key properties of 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide?

3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 1067.90 g/mol, XLogP of 7.24, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 143727626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).