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

C137H126Cl3F8N35O16 — CID 162160576

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

5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 162160576) has the molecular formula C137H126Cl3F8N35O16 and a molecular weight of 2777.09 g/mol. Its IUPAC name is 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 162160576
• Molecular Formula: C137H126Cl3F8N35O16
• Molecular Weight: 2777.09 g/mol
• Exact Mass: 2773.91
• IUPAC Name: 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• SMILES: Cc1cc(Cl)cc(Oc2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.O=C(Cc1cccc(O)c1)c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cc3cccc(O)c3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(Cc3cccc(O)c3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(Cc3cccc(O)c3)c2)cn1
• InChI: InChI=1S/C28H25ClFN7O4.C28H25F4N7O3.2C27H25ClFN7O3.C27H26FN7O3/c29-19-12-18(25(39)11-17-2-1-3-22(38)10-17)13-21(14-19)33-20-4-5-24(31-15-20)27(40)35-36-28-32-16-23(30)26(34-28)37-6-8-41-9-7-37;29-23-16-34-27(36-25(23)39-6-8-42-9-7-39)38-37-26(41)24-5-4-20(15-33-24)35-21-12-18(11-19(14-21)28(30,31)32)10-17-2-1-3-22(40)13-17;1-17-11-18(28)13-22(12-17)39-21-4-2-3-19(14-21)32-20-5-6-24(30-15-20)26(37)34-35-27-31-16-23(29)25(33-27)36-7-9-38-10-8-36;28-19-11-18(10-17-2-1-3-22(37)13-17)12-21(14-19)32-20-4-5-24(30-15-20)26(38)34-35-27-31-16-23(29)25(33-27)36-6-8-39-9-7-36;28-23-17-30-27(32-25(23)35-9-11-38-12-10-35)34-33-26(37)24-8-7-21(16-29-24)31-20-5-1-3-18(14-20)13-19-4-2-6-22(36)15-19/h1-5,10,12-16,33,38H,6-9,11H2,(H,35,40)(H,32,34,36);1-5,11-16,35,40H,6-10H2,(H,37,41)(H,34,36,38);2-6,11-16,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);1-5,11-16,32,37H,6-10H2,(H,34,38)(H,31,33,35);1-8,14-17,31,36H,9-13H2,(H,33,37)(H,30,32,34)
• InChIKey: ZMKNQDAXWZXYSE-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 628.72 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 46
• Rotatable Bonds: 41
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2777.09
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 162160576) is 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

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

The canonical SMILES for 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is Cc1cc(Cl)cc(Oc2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.O=C(Cc1cccc(O)c1)c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cc3cccc(O)c3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(Cc3cccc(O)c3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(Cc3cccc(O)c3)c2)cn1.

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

The InChIKey is ZMKNQDAXWZXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN7O4.C28H25F4N7O3.2C27H25ClFN7O3.C27H26FN7O3/c29-19-12-18(25(39)11-17-2-1-3-22(38)10-17)13-21(14-19)33-20-4-5-24(31-15-20)27(40)35-36-28-32-16-23(30)26(34-28)37-6-8-41-9-7-37;29-23-16-34-27(36-25(23)39-6-8-42-9-7-39)38-37-26(41)24-5-4-20(15-33-24)35-21-12-18(11-19(14-21)28(30,31)32)10-17-2-1-3-22(40)13-17;1-17-11-18(28)13-22(12-17)39-21-4-2-3-19(14-21)32-20-5-6-24(30-15-20)26(37)34-35-27-31-16-23(29)25(33-27)36-7-9-38-10-8-36;28-19-11-18(10-17-2-1-3-22(37)13-17)12-21(14-19)32-20-4-5-24(30-15-20)26(38)34-35-27-31-16-23(29)25(33-27)36-6-8-39-9-7-36;28-23-17-30-27(32-25(23)35-9-11-38-12-10-35)34-33-26(37)24-8-7-21(16-29-24)31-20-5-1-3-18(14-20)13-19-4-2-6-22(36)15-19/h1-5,10,12-16,33,38H,6-9,11H2,(H,35,40)(H,32,34,36);1-5,11-16,35,40H,6-10H2,(H,37,41)(H,34,36,38);2-6,11-16,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);1-5,11-16,32,37H,6-10H2,(H,34,38)(H,31,33,35);1-8,14-17,31,36H,9-13H2,(H,33,37)(H,30,32,34).

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

5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 2777.09 g/mol, XLogP of 21.84, 41 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-chloro-5-[2-(3-hydroxyphenyl)acetyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-chloro-5-[(3-hydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-(3-chloro-5-methylphenoxy)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 162160576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).