5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

C98H105Cl2F7N30O9 — CID 159687528

About 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 159687528) has the molecular formula C98H105Cl2F7N30O9 and a molecular weight of 2051.01 g/mol. Its IUPAC name is 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
• PubChem CID: 159687528
• Molecular Formula: C98H105Cl2F7N30O9
• Molecular Weight: 2051.01 g/mol
• Exact Mass: 2048.79
• IUPAC Name: 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
• SMILES: CN(C)Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c(Cl)c1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1
• InChI: InChI=1S/C28H26ClFN6O3.C24H26F4N8O2.C23H26ClFN8O2.C23H27FN8O2/c1-17-11-21(32-22-13-19(12-20(29)15-22)18-3-2-4-23(37)14-18)5-6-24(17)27(38)34-35-28-31-16-25(30)26(33-28)36-7-9-39-10-8-36;1-35(2)14-15-9-16(24(26,27)28)11-18(10-15)31-17-3-4-20(29-12-17)22(37)33-34-23-30-13-19(25)21(32-23)36-5-7-38-8-6-36;1-32(2)14-15-3-5-19(17(24)11-15)28-16-4-6-20(26-12-16)22(34)30-31-23-27-13-18(25)21(29-23)33-7-9-35-10-8-33;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-16,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);3-4,9-13,31H,5-8,14H2,1-2H3,(H,33,37)(H,30,32,34);3-6,11-13,28H,7-10,14H2,1-2H3,(H,30,34)(H,27,29,31);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30)
• InChIKey: MVZIEBYSSKWPEI-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 434.26 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.01
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The IUPAC name of 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 159687528) is 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

What is the SMILES notation for 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The canonical SMILES for 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is CN(C)Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c(Cl)c1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.

What is the InChIKey of 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The InChIKey is MVZIEBYSSKWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN6O3.C24H26F4N8O2.C23H26ClFN8O2.C23H27FN8O2/c1-17-11-21(32-22-13-19(12-20(29)15-22)18-3-2-4-23(37)14-18)5-6-24(17)27(38)34-35-28-31-16-25(30)26(33-28)36-7-9-39-10-8-36;1-35(2)14-15-9-16(24(26,27)28)11-18(10-15)31-17-3-4-20(29-12-17)22(37)33-34-23-30-13-19(25)21(32-23)36-5-7-38-8-6-36;1-32(2)14-15-3-5-19(17(24)11-15)28-16-4-6-20(26-12-16)22(34)30-31-23-27-13-18(25)21(29-23)33-7-9-35-10-8-33;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-16,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);3-4,9-13,31H,5-8,14H2,1-2H3,(H,33,37)(H,30,32,34);3-6,11-13,28H,7-10,14H2,1-2H3,(H,30,34)(H,27,29,31);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30).

What are the key properties of 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 2051.01 g/mol, XLogP of 14.19, 31 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-chloro-4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 159687528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).