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

C24H20ClF4N4OP — CID 170438344

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

3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (PubChem CID 170438344) has the molecular formula C24H20ClF4N4OP and a molecular weight of 522.87 g/mol. Its IUPAC name is 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
• PubChem CID: 170438344
• Molecular Formula: C24H20ClF4N4OP
• Molecular Weight: 522.87 g/mol
• Exact Mass: 522.10
• IUPAC Name: 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(c2ccccc2F)C(F)F)c1Cl
• InChI: InChI=1S/C24H20ClF4N4OP/c1-12-19(25)23(33-21(24(28)29)14-6-4-5-7-15(14)26)22-17(31-12)10-16(27)20(32-22)13-8-9-18(30-11-13)35(2,3)34/h4-11,21,24H,1-3H3,(H,31,33)
• InChIKey: AEOYEQDYDZAPIC-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.87
LogP ≤ 5	6.60
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-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?

The IUPAC name of 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (CID 170438344) is 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

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

The canonical SMILES for 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(c2ccccc2F)C(F)F)c1Cl.

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

The InChIKey is AEOYEQDYDZAPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N4OP/c1-12-19(25)23(33-21(24(28)29)14-6-4-5-7-15(14)26)22-17(31-12)10-16(27)20(32-22)13-8-9-18(30-11-13)35(2,3)34/h4-11,21,24H,1-3H3,(H,31,33).

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

3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine has a molecular weight of 522.87 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 170438344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).