1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol

C125H129F5N22O14S — CID 158320383

About 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol

1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol (PubChem CID 158320383) has the molecular formula C125H129F5N22O14S and a molecular weight of 2290.60 g/mol. Its IUPAC name is 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol.

Molecular Properties

• Compound Name: 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol
• PubChem CID: 158320383
• Molecular Formula: C125H129F5N22O14S
• Molecular Weight: 2290.60 g/mol
• Exact Mass: 2288.97
• IUPAC Name: 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol
• SMILES: CC(C)Oc1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.CCOc1ccc2c(c1)C(c1ccnc(N3CC(O)(C(F)(F)F)C3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)CC3)c1)=NC2.COc1ccnc(F)c1-c1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.COc1ccncc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3=O)c1)=NC2.OCCOc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
• InChI: InChI=1S/C24H24FN5O3S.C23H20N4O3.C20H22FN3O2.C20H24N4O.C19H18F3N3O2.C19H21N3O3/c1-33-20-6-8-27-24(25)22(20)16-3-4-18-15-28-23(19(18)13-16)17-5-7-26-21(14-17)29-9-11-30(12-10-29)34(2,31)32;1-29-20-5-6-24-13-19(20)15-2-3-17-12-26-23(18(17)10-15)16-4-7-25-21(11-16)27-8-9-30-14-22(27)28;1-13(2)26-18-11-16-15(9-17(18)21)12-23-20(16)14-3-4-22-19(10-14)24-5-7-25-8-6-24;1-3-25-17-5-4-16-14-22-20(18(16)13-17)15-6-7-21-19(12-15)24-10-8-23(2)9-11-24;1-2-27-14-4-3-13-9-24-17(15(13)8-14)12-5-6-23-16(7-12)25-10-18(26,11-25)19(20,21)22;23-7-10-25-16-2-1-15-13-21-19(17(15)12-16)14-3-4-20-18(11-14)22-5-8-24-9-6-22/h3-8,13-14H,9-12,15H2,1-2H3;2-7,10-11,13H,8-9,12,14H2,1H3;3-4,9-11,13H,5-8,12H2,1-2H3;4-7,12-13H,3,8-11,14H2,1-2H3;3-8,26H,2,9-11H2,1H3;1-4,11-12,23H,5-10,13H2
• InChIKey: GOTSTXOWKLQCFB-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 377.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.60
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol?

The IUPAC name of 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol (CID 158320383) is 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol.

What is the SMILES notation for 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol?

The canonical SMILES for 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol is CC(C)Oc1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.CCOc1ccc2c(c1)C(c1ccnc(N3CC(O)(C(F)(F)F)C3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)CC3)c1)=NC2.COc1ccnc(F)c1-c1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.COc1ccncc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3=O)c1)=NC2.OCCOc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.

What is the InChIKey of 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol?

The InChIKey is GOTSTXOWKLQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S.C23H20N4O3.C20H22FN3O2.C20H24N4O.C19H18F3N3O2.C19H21N3O3/c1-33-20-6-8-27-24(25)22(20)16-3-4-18-15-28-23(19(18)13-16)17-5-7-26-21(14-17)29-9-11-30(12-10-29)34(2,31)32;1-29-20-5-6-24-13-19(20)15-2-3-17-12-26-23(18(17)10-15)16-4-7-25-21(11-16)27-8-9-30-14-22(27)28;1-13(2)26-18-11-16-15(9-17(18)21)12-23-20(16)14-3-4-22-19(10-14)24-5-7-25-8-6-24;1-3-25-17-5-4-16-14-22-20(18(16)13-17)15-6-7-21-19(12-15)24-10-8-23(2)9-11-24;1-2-27-14-4-3-13-9-24-17(15(13)8-14)12-5-6-23-16(7-12)25-10-18(26,11-25)19(20,21)22;23-7-10-25-16-2-1-15-13-21-19(17(15)12-16)14-3-4-20-18(11-14)22-5-8-24-9-6-22/h3-8,13-14H,9-12,15H2,1-2H3;2-7,10-11,13H,8-9,12,14H2,1H3;3-4,9-11,13H,5-8,12H2,1-2H3;4-7,12-13H,3,8-11,14H2,1-2H3;3-8,26H,2,9-11H2,1H3;1-4,11-12,23H,5-10,13H2.

What are the key properties of 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol?

1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol has a molecular weight of 2290.60 g/mol, XLogP of 15.95, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol is sourced from PubChem (CID 158320383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).