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

C25H27F4N9O2 — CID 58876766

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876766) has the molecular formula C25H27F4N9O2 and a molecular weight of 561.54 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 58876766
• Molecular Formula: C25H27F4N9O2
• Molecular Weight: 561.54 g/mol
• Exact Mass: 561.22
• IUPAC Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• SMILES: O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(N3CCNCC3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C25H27F4N9O2/c26-20-15-32-24(34-22(20)38-7-9-40-10-8-38)36-35-23(39)21-2-1-17(14-31-21)33-18-11-16(25(27,28)29)12-19(13-18)37-5-3-30-4-6-37/h1-2,11-15,30,33H,3-10H2,(H,35,39)(H,32,34,36)
• InChIKey: RFGLGMQFYKLBHV-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 119.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.54
LogP ≤ 5	2.78
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-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 58876766) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

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

The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(N3CCNCC3)cc(C(F)(F)F)c2)cn1.

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

The InChIKey is RFGLGMQFYKLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N9O2/c26-20-15-32-24(34-22(20)38-7-9-40-10-8-38)36-35-23(39)21-2-1-17(14-31-21)33-18-11-16(25(27,28)29)12-19(13-18)37-5-3-30-4-6-37/h1-2,11-15,30,33H,3-10H2,(H,35,39)(H,32,34,36).

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 561.54 g/mol, XLogP of 2.78, 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-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).