3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine

C123H143F4N19O11S — CID 159400339

About 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine

3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 159400339) has the molecular formula C123H143F4N19O11S and a molecular weight of 2171.68 g/mol. Its IUPAC name is 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine
• PubChem CID: 159400339
• Molecular Formula: C123H143F4N19O11S
• Molecular Weight: 2171.68 g/mol
• Exact Mass: 2170.09
• IUPAC Name: 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine
• SMILES: CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.COC1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)CC1.COCCNc1cc(C2=NCc3ccc(OC(C)C)cc32)ccn1
• InChI: InChI=1S/C22H27N3O2.C21H23F2N3O.C21H26N4O3S.C20H21F2N3O.C20H23N3O2.C19H23N3O2/c1-15(2)27-19-5-4-17-14-24-22(20(17)13-19)16-6-9-23-21(12-16)25-10-7-18(26-3)8-11-25;1-14(2)27-17-4-3-16-13-25-20(18(16)12-17)15-5-8-24-19(11-15)26-9-6-21(22,23)7-10-26;1-15(2)28-18-5-4-17-14-23-21(19(17)13-18)16-6-7-22-20(12-16)24-8-10-25(11-9-24)29(3,26)27;1-2-26-16-4-3-15-13-24-19(17(15)12-16)14-5-8-23-18(11-14)25-9-6-20(21,22)7-10-25;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-24-10-8-23;1-13(2)24-16-5-4-15-12-22-19(17(15)11-16)14-6-7-20-18(10-14)21-8-9-23-3/h4-6,9,12-13,15,18H,7-8,10-11,14H2,1-3H3;3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3;4-7,12-13,15H,8-11,14H2,1-3H3;3-5,8,11-12H,2,6-7,9-10,13H2,1H3;3-6,11-12,14H,7-10,13H2,1-2H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,20,21)
• InChIKey: LNGJETORHRYCPG-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 300.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.68
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	1
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 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine?

The IUPAC name of 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 159400339) is 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.COC1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)CC1.COCCNc1cc(C2=NCc3ccc(OC(C)C)cc32)ccn1.

What is the InChIKey of 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine?

The InChIKey is LNGJETORHRYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C21H23F2N3O.C21H26N4O3S.C20H21F2N3O.C20H23N3O2.C19H23N3O2/c1-15(2)27-19-5-4-17-14-24-22(20(17)13-19)16-6-9-23-21(12-16)25-10-7-18(26-3)8-11-25;1-14(2)27-17-4-3-16-13-25-20(18(16)12-17)15-5-8-24-19(11-15)26-9-6-21(22,23)7-10-26;1-15(2)28-18-5-4-17-14-23-21(19(17)13-18)16-6-7-22-20(12-16)24-8-10-25(11-9-24)29(3,26)27;1-2-26-16-4-3-15-13-24-19(17(15)12-16)14-5-8-23-18(11-14)25-9-6-20(21,22)7-10-25;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-24-10-8-23;1-13(2)24-16-5-4-15-12-22-19(17(15)11-16)14-6-7-20-18(10-14)21-8-9-23-3/h4-6,9,12-13,15,18H,7-8,10-11,14H2,1-3H3;3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3;4-7,12-13,15H,8-11,14H2,1-3H3;3-5,8,11-12H,2,6-7,9-10,13H2,1H3;3-6,11-12,14H,7-10,13H2,1-2H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,20,21).

What are the key properties of 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine?

3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 2171.68 g/mol, XLogP of 20.99, 29 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159400339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).