6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine

C25H24FN7OS — CID 91077609

About 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine

6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine (PubChem CID 91077609) has the molecular formula C25H24FN7OS and a molecular weight of 489.58 g/mol. Its IUPAC name is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine
• PubChem CID: 91077609
• Molecular Formula: C25H24FN7OS
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.17
• IUPAC Name: 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine
• SMILES: Cc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccs1
• InChI: InChI=1S/C25H24FN7OS/c1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33/h2-7,12-14,16,30H,8-11,15H2,1H3/b32-29+
• InChIKey: SLCOJVWDVSNEEP-UUDCSCGESA-N
• XLogP: 5.91
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine?

The IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine (CID 91077609) is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine.

What is the SMILES notation for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine?

The canonical SMILES for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine is Cc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccs1.

What is the InChIKey of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine?

The InChIKey is SLCOJVWDVSNEEP-UUDCSCGESA-N. The full InChI is InChI=1S/C25H24FN7OS/c1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33/h2-7,12-14,16,30H,8-11,15H2,1H3/b32-29+.

What are the key properties of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine?

6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine has a molecular weight of 489.58 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(3-methyl-4-thiophen-2-ylphenyl)pyridin-3-amine is sourced from PubChem (CID 91077609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).