bis(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-methylphenyl)methyl]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

C137H128Cl3F8N35O14 — CID 158912538

About bis(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-methylphenyl)methyl]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

bis(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-methylphenyl)methyl]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 158912538) has the molecular formula C137H128Cl3F8N35O14 and a molecular weight of 2747.10 g/mol. Its IUPAC name is bis(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-methylphenyl)methyl]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: bis(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-methylphenyl)methyl]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: 158912538
• Molecular Formula: C137H128Cl3F8N35O14
• Molecular Weight: 2747.10 g/mol
• Exact Mass: 2743.93
• IUPAC Name: bis(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-methylphenyl)methyl]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(Cc2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)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(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/C28H27ClFN7O2.C28H25F4N7O3.2C27H25ClFN7O3.C27H26FN7O3/c1-18-11-20(14-21(29)12-18)13-19-3-2-4-22(15-19)33-23-5-6-25(31-16-23)27(38)35-36-28-32-17-24(30)26(34-28)37-7-9-39-10-8-37;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;2*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/h2-6,11-12,14-17,33H,7-10,13H2,1H3,(H,35,38)(H,32,34,36);1-5,11-16,35,40H,6-10H2,(H,37,41)(H,34,36,38);2*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: JGVGECVKZHWRHB-UHFFFAOYSA-N
• XLogP: 21.80
• TPSA: 602.42 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.10
LogP ≤ 5	21.80
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(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-methylphenyl)methyl]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 bis(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-methylphenyl)methyl]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 158912538) is bis(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-methylphenyl)methyl]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 bis(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-methylphenyl)methyl]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 bis(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-methylphenyl)methyl]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(Cc2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)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(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 bis(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-methylphenyl)methyl]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 JGVGECVKZHWRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN7O2.C28H25F4N7O3.2C27H25ClFN7O3.C27H26FN7O3/c1-18-11-20(14-21(29)12-18)13-19-3-2-4-22(15-19)33-23-5-6-25(31-16-23)27(38)35-36-28-32-17-24(30)26(34-28)37-7-9-39-10-8-37;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;2*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/h2-6,11-12,14-17,33H,7-10,13H2,1H3,(H,35,38)(H,32,34,36);1-5,11-16,35,40H,6-10H2,(H,37,41)(H,34,36,38);2*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 bis(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-methylphenyl)methyl]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?

bis(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-methylphenyl)methyl]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 2747.10 g/mol, XLogP of 21.80, 40 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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-methylphenyl)methyl]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 158912538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).