6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine

C26H27F2N4OP — CID 170619356

About 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine

6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine (PubChem CID 170619356) has the molecular formula C26H27F2N4OP and a molecular weight of 480.50 g/mol. Its IUPAC name is 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine
• PubChem CID: 170619356
• Molecular Formula: C26H27F2N4OP
• Molecular Weight: 480.50 g/mol
• Exact Mass: 480.19
• IUPAC Name: 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine
• SMILES: CC[C@@H](Nc1c(C)c(C)nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc12)c1ccccc1F
• InChI: InChI=1S/C26H27F2N4OP/c1-6-21(18-9-7-8-10-19(18)27)31-24-15(2)16(3)30-22-13-20(28)25(32-26(22)24)17-11-12-23(29-14-17)34(4,5)33/h7-14,21H,6H2,1-5H3,(H,30,31)/t21-/m1/s1
• InChIKey: JYBCZIDUZKYFQK-OAQYLSRUSA-N
• XLogP: 6.40
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.50
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine?

The IUPAC name of 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine (CID 170619356) is 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine.

What is the SMILES notation for 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine?

The canonical SMILES for 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine is CC[C@@H](Nc1c(C)c(C)nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc12)c1ccccc1F.

What is the InChIKey of 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine?

The InChIKey is JYBCZIDUZKYFQK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27F2N4OP/c1-6-21(18-9-7-8-10-19(18)27)31-24-15(2)16(3)30-22-13-20(28)25(32-26(22)24)17-11-12-23(29-14-17)34(4,5)33/h7-14,21H,6H2,1-5H3,(H,30,31)/t21-/m1/s1.

What are the key properties of 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine?

6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine has a molecular weight of 480.50 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)propyl]-2,3-dimethyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 170619356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).