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

C26H23ClFN7O3 — CID 58876918

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

4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876918) has the molecular formula C26H23ClFN7O3 and a molecular weight of 535.97 g/mol. Its IUPAC name is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 58876918
• Molecular Formula: C26H23ClFN7O3
• Molecular Weight: 535.97 g/mol
• Exact Mass: 535.15
• IUPAC Name: 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
• SMILES: O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1
• InChI: InChI=1S/C26H23ClFN7O3/c27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17/h1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34)
• InChIKey: YFXQMFSTULWYME-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 124.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.97
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (CID 58876918) is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.

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

The canonical SMILES for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.

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

The InChIKey is YFXQMFSTULWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O3/c27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17/h1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34).

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

4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 535.97 g/mol, XLogP of 4.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).