2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine

C98H67Cl2F7N20O2 — CID 159917775

About 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine

2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine (PubChem CID 159917775) has the molecular formula C98H67Cl2F7N20O2 and a molecular weight of 1760.64 g/mol. Its IUPAC name is 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
• PubChem CID: 159917775
• Molecular Formula: C98H67Cl2F7N20O2
• Molecular Weight: 1760.64 g/mol
• Exact Mass: 1758.50
• IUPAC Name: 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
• SMILES: Clc1cccc(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.FC(F)(F)c1cccc(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2cccnc2n1.OCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
• InChI: InChI=1S/C21H16ClFN4O2.C20H13F3N4.C19H13ClN4.C19H12F2N4.C19H13FN4/c22-13-3-4-16(23)15(10-13)19-11-18(14-2-1-6-25-21(14)27-19)26-17-5-7-24-12-20(17)29-9-8-28;21-20(22,23)14-4-1-3-13(11-14)17-12-18(26-15-6-9-24-10-7-15)16-5-2-8-25-19(16)27-17;20-14-4-1-3-13(11-14)17-12-18(23-15-6-9-21-10-7-15)16-5-2-8-22-19(16)24-17;20-12-3-4-16(21)15(10-12)18-11-17(24-13-5-8-22-9-6-13)14-2-1-7-23-19(14)25-18;20-16-6-2-1-4-14(16)17-12-18(23-13-7-10-21-11-8-13)15-5-3-9-22-19(15)24-17/h1-7,10-12,28H,8-9H2,(H,24,25,26,27);1-12H,(H,24,25,26,27);1-12H,(H,21,22,23,24);1-11H,(H,22,23,24,25);1-12H,(H,21,22,23,24)
• InChIKey: NXZVDMVMJGRTGE-UHFFFAOYSA-N
• XLogP: 24.43
• TPSA: 282.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.64
LogP ≤ 5	24.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?

The IUPAC name of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine (CID 159917775) is 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine.

What is the SMILES notation for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?

The canonical SMILES for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine is Clc1cccc(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.FC(F)(F)c1cccc(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2cccnc2n1.OCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.

What is the InChIKey of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?

The InChIKey is NXZVDMVMJGRTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2.C20H13F3N4.C19H13ClN4.C19H12F2N4.C19H13FN4/c22-13-3-4-16(23)15(10-13)19-11-18(14-2-1-6-25-21(14)27-19)26-17-5-7-24-12-20(17)29-9-8-28;21-20(22,23)14-4-1-3-13(11-14)17-12-18(26-15-6-9-24-10-7-15)16-5-2-8-25-19(16)27-17;20-14-4-1-3-13(11-14)17-12-18(23-15-6-9-21-10-7-15)16-5-2-8-22-19(16)24-17;20-12-3-4-16(21)15(10-12)18-11-17(24-13-5-8-22-9-6-13)14-2-1-7-23-19(14)25-18;20-16-6-2-1-4-14(16)17-12-18(23-13-7-10-21-11-8-13)15-5-3-9-22-19(15)24-17/h1-7,10-12,28H,8-9H2,(H,24,25,26,27);1-12H,(H,24,25,26,27);1-12H,(H,21,22,23,24);1-11H,(H,22,23,24,25);1-12H,(H,21,22,23,24).

What are the key properties of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?

2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine has a molecular weight of 1760.64 g/mol, XLogP of 24.43, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 159917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).