(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol

C24H22ClF2N4O2P — CID 170438220

About (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol

(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol (PubChem CID 170438220) has the molecular formula C24H22ClF2N4O2P and a molecular weight of 502.89 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol.

Molecular Properties

• Compound Name: (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol
• PubChem CID: 170438220
• Molecular Formula: C24H22ClF2N4O2P
• Molecular Weight: 502.89 g/mol
• Exact Mass: 502.11
• IUPAC Name: (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](CO)c2ccccc2F)c1Cl
• InChI: InChI=1S/C24H22ClF2N4O2P/c1-13-21(25)24(30-19(12-32)15-6-4-5-7-16(15)26)23-18(29-13)10-17(27)22(31-23)14-8-9-20(28-11-14)34(2,3)33/h4-11,19,32H,12H2,1-3H3,(H,29,30)/t19-/m1/s1
• InChIKey: ZVQZYEYCNXVMGK-LJQANCHMSA-N
• XLogP: 5.33
• TPSA: 88.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.89
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol (CID 170438220) is (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol.

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

The canonical SMILES for (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](CO)c2ccccc2F)c1Cl.

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

The InChIKey is ZVQZYEYCNXVMGK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22ClF2N4O2P/c1-13-21(25)24(30-19(12-32)15-6-4-5-7-16(15)26)23-18(29-13)10-17(27)22(31-23)14-8-9-20(28-11-14)34(2,3)33/h4-11,19,32H,12H2,1-3H3,(H,29,30)/t19-/m1/s1.

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

(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol has a molecular weight of 502.89 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 170438220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).