6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile

C24H20ClF2N6OP — CID 174227486

About 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile

6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile (PubChem CID 174227486) has the molecular formula C24H20ClF2N6OP and a molecular weight of 512.89 g/mol. Its IUPAC name is 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile
• PubChem CID: 174227486
• Molecular Formula: C24H20ClF2N6OP
• Molecular Weight: 512.89 g/mol
• Exact Mass: 512.11
• IUPAC Name: 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2nc(C#N)ccc2F)c1Cl
• InChI: InChI=1S/C24H20ClF2N6OP/c1-12-20(25)24(31-13(2)21-16(26)7-6-15(10-28)32-21)23-18(30-12)9-17(27)22(33-23)14-5-8-19(29-11-14)35(3,4)34/h5-9,11,13H,1-4H3,(H,30,31)
• InChIKey: KRAMYZDZPXVKEK-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.89
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile?

The IUPAC name of 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile (CID 174227486) is 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile.

What is the SMILES notation for 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile?

The canonical SMILES for 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2nc(C#N)ccc2F)c1Cl.

What is the InChIKey of 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile?

The InChIKey is KRAMYZDZPXVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N6OP/c1-12-20(25)24(31-13(2)21-16(26)7-6-15(10-28)32-21)23-18(30-12)9-17(27)22(33-23)14-5-8-19(29-11-14)35(3,4)34/h5-9,11,13H,1-4H3,(H,30,31).

What are the key properties of 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile?

6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile has a molecular weight of 512.89 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 174227486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).