2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate

C112H91Cl3F8N22O7 — CID 158332075

About 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate

2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 158332075) has the molecular formula C112H91Cl3F8N22O7 and a molecular weight of 2115.45 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
• PubChem CID: 158332075
• Molecular Formula: C112H91Cl3F8N22O7
• Molecular Weight: 2115.45 g/mol
• Exact Mass: 2112.64
• IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
• SMILES: CN(C)CCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.COc1ccc(F)c(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.OCc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12
• InChI: InChI=1S/C26H25ClFN5O2.C24H23ClFN5O.C21H14ClFN4O2.C21H14F4N4O.C20H15FN4O/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33;1-31(2)11-4-12-32-23-15-27-10-8-20(23)29-21-14-22(18-13-16(25)6-7-19(18)26)30-24-17(21)5-3-9-28-24;1-29-21(28)15-11-24-8-6-17(15)26-18-10-19(14-9-12(22)4-5-16(14)23)27-20-13(18)3-2-7-25-20;22-16-4-3-13(21(23,24)25)8-15(16)19-9-18(14-2-1-6-27-20(14)29-19)28-17-5-7-26-10-12(17)11-30;1-26-14-4-5-17(21)16(11-14)19-12-18(24-13-6-9-22-10-7-13)15-3-2-8-23-20(15)25-19/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32);3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28,29,30);2-11H,1H3,(H,24,25,26,27);1-10,30H,11H2,(H,26,27,28,29);2-12H,1H3,(H,22,23,24,25)
• InChIKey: GQDBFLWZJAXRRZ-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 343.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.45
LogP ≤ 5	25.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate?

The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate (CID 158332075) is 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate.

What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate?

The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate is CN(C)CCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.COc1ccc(F)c(-c2cc(Nc3ccncc3)c3cccnc3n2)c1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.OCc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12.

What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate?

The InChIKey is GQDBFLWZJAXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2.C24H23ClFN5O.C21H14ClFN4O2.C21H14F4N4O.C20H15FN4O/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33;1-31(2)11-4-12-32-23-15-27-10-8-20(23)29-21-14-22(18-13-16(25)6-7-19(18)26)30-24-17(21)5-3-9-28-24;1-29-21(28)15-11-24-8-6-17(15)26-18-10-19(14-9-12(22)4-5-16(14)23)27-20-13(18)3-2-7-25-20;22-16-4-3-13(21(23,24)25)8-15(16)19-9-18(14-2-1-6-27-20(14)29-19)28-17-5-7-26-10-12(17)11-30;1-26-14-4-5-17(21)16(11-14)19-12-18(24-13-6-9-22-10-7-13)15-3-2-8-23-20(15)25-19/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32);3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,28,29,30);2-11H,1H3,(H,24,25,26,27);1-10,30H,11H2,(H,26,27,28,29);2-12H,1H3,(H,22,23,24,25).

What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate?

2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 2115.45 g/mol, XLogP of 25.57, 28 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-fluorophenyl)-N-[3-[3-(dimethylamino)propoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(2-fluoro-5-methoxyphenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;[4-[[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 158332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).