N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide

C26H33FN10O — CID 143470929

About N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide (PubChem CID 143470929) has the molecular formula C26H33FN10O and a molecular weight of 520.62 g/mol. Its IUPAC name is N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide
• PubChem CID: 143470929
• Molecular Formula: C26H33FN10O
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.28
• IUPAC Name: N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide
• SMILES: CN1CCN(Cc2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCNCC5)n4)nc3)cc2)CC1
• InChI: InChI=1S/C26H33FN10O/c1-35-12-14-36(15-13-35)18-19-2-4-20(5-3-19)31-21-6-7-23(29-16-21)25(38)33-34-26-30-17-22(27)24(32-26)37-10-8-28-9-11-37/h2-7,16-17,28,31H,8-15,18H2,1H3,(H,33,38)(H,30,32,34)
• InChIKey: NUMHGRVONWNWEG-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 113.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide (CID 143470929) is N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide.

What is the SMILES notation for N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide?

The canonical SMILES for N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide is CN1CCN(Cc2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCNCC5)n4)nc3)cc2)CC1.

What is the InChIKey of N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide?

The InChIKey is NUMHGRVONWNWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN10O/c1-35-12-14-36(15-13-35)18-19-2-4-20(5-3-19)31-21-6-7-23(29-16-21)25(38)33-34-26-30-17-22(27)24(32-26)37-10-8-28-9-11-37/h2-7,16-17,28,31H,8-15,18H2,1H3,(H,33,38)(H,30,32,34).

What are the key properties of N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide?

N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide has a molecular weight of 520.62 g/mol, XLogP of 1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 143470929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).