N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C24H25F4N9O2 — CID 58877258

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58877258) has the molecular formula C24H25F4N9O2 and a molecular weight of 547.52 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 58877258
• Molecular Formula: C24H25F4N9O2
• Molecular Weight: 547.52 g/mol
• Exact Mass: 547.21
• IUPAC Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• SMILES: O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCN3)c(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C24H25F4N9O2/c25-18-14-30-23(33-21(18)36-8-10-39-11-9-36)35-34-22(38)19-4-2-16(13-29-19)32-15-3-5-20(37-7-1-6-31-37)17(12-15)24(26,27)28/h2-5,12-14,31-32H,1,6-11H2,(H,34,38)(H,30,33,35)
• InChIKey: MRSSVVPHLSLVQF-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 119.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.52
LogP ≤ 5	3.08
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-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58877258) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCCN3)c(C(F)(F)F)c2)cn1.

What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The InChIKey is MRSSVVPHLSLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N9O2/c25-18-14-30-23(33-21(18)36-8-10-39-11-9-36)35-34-22(38)19-4-2-16(13-29-19)32-15-3-5-20(37-7-1-6-31-37)17(12-15)24(26,27)28/h2-5,12-14,31-32H,1,6-11H2,(H,34,38)(H,30,33,35).

What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 547.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrazolidin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58877258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).