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

C25H28FN7O3 — CID 149461350

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide (PubChem CID 149461350) has the molecular formula C25H28FN7O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 149461350
• Molecular Formula: C25H28FN7O3
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.22
• IUPAC Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide
• SMILES: Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCCO2)c1
• InChI: InChI=1S/C25H28FN7O3/c1-16-11-17(22-3-2-8-36-22)13-19(12-16)29-18-4-5-21(27-14-18)24(34)31-32-25-28-15-20(26)23(30-25)33-6-9-35-10-7-33/h4-5,11-15,22,29H,2-3,6-10H2,1H3,(H,31,34)(H,28,30,32)
• InChIKey: SFCBUVQFRXDSNW-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 113.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
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 N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide (CID 149461350) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide.

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

The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide is Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCCO2)c1.

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

The InChIKey is SFCBUVQFRXDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O3/c1-16-11-17(22-3-2-8-36-22)13-19(12-16)29-18-4-5-21(27-14-18)24(34)31-32-25-28-15-20(26)23(30-25)33-6-9-35-10-7-33/h4-5,11-15,22,29H,2-3,6-10H2,1H3,(H,31,34)(H,28,30,32).

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide has a molecular weight of 493.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(oxolan-2-yl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 149461350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).