3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine

C24H22ClF2N4OP — CID 174227563

About 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine

3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine (PubChem CID 174227563) has the molecular formula C24H22ClF2N4OP and a molecular weight of 486.89 g/mol. Its IUPAC name is 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
• PubChem CID: 174227563
• Molecular Formula: C24H22ClF2N4OP
• Molecular Weight: 486.89 g/mol
• Exact Mass: 486.12
• IUPAC Name: 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cccc(F)c2)c1Cl
• InChI: InChI=1S/C24H22ClF2N4OP/c1-13(15-6-5-7-17(26)10-15)30-24-21(25)14(2)29-19-11-18(27)22(31-23(19)24)16-8-9-20(28-12-16)33(3,4)32/h5-13H,1-4H3,(H,29,30)
• InChIKey: RSNKVGRUOLXQNB-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.89
LogP ≤ 5	6.35
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 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine?

The IUPAC name of 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine (CID 174227563) is 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine.

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

The canonical SMILES for 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cccc(F)c2)c1Cl.

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

The InChIKey is RSNKVGRUOLXQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N4OP/c1-13(15-6-5-7-17(26)10-15)30-24-21(25)14(2)29-19-11-18(27)22(31-23(19)24)16-8-9-20(28-12-16)33(3,4)32/h5-13H,1-4H3,(H,29,30).

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

3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine has a molecular weight of 486.89 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 174227563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).