6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine

C102H128FN23O4S3 — CID 158291652

About 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine

6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine (PubChem CID 158291652) has the molecular formula C102H128FN23O4S3 and a molecular weight of 1855.50 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine
• PubChem CID: 158291652
• Molecular Formula: C102H128FN23O4S3
• Molecular Weight: 1855.50 g/mol
• Exact Mass: 1853.97
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine
• SMILES: C=Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.CCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.Fc1ncccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.c1cc2c(c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)c1)OCCO2
• InChI: InChI=1S/C24H28N4O3.C23H29N5O.C21H24FN5S.C18H24N4S.C16H23N5S/c1-2-9-27(10-3-1)18-7-11-28(12-8-18)24-26-23-21(31-24)15-17(16-25-23)19-5-4-6-20-22(19)30-14-13-29-20;1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27;22-20-16(5-4-8-23-20)17-13-19-18(14-24-17)25-21(28-19)27-11-6-15(7-12-27)26-9-2-1-3-10-26;1-2-14-12-17-16(13-19-14)20-18(23-17)22-10-6-15(7-11-22)21-8-4-3-5-9-21;17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h4-6,15-16,18H,1-3,7-14H2;6-8,15-16,19H,2-5,9-14H2,1H3;4-5,8,13-15H,1-3,6-7,9-12H2;2,12-13,15H,1,3-11H2;10-12H,1-9H2,(H2,17,18)
• InChIKey: GLKUFNMOXMJBQF-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 257.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.50
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine (CID 158291652) is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine.

What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine is C=Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.CCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.Fc1ncccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.c1cc2c(c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)c1)OCCO2.

What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?

The InChIKey is GLKUFNMOXMJBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.C23H29N5O.C21H24FN5S.C18H24N4S.C16H23N5S/c1-2-9-27(10-3-1)18-7-11-28(12-8-18)24-26-23-21(31-24)15-17(16-25-23)19-5-4-6-20-22(19)30-14-13-29-20;1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27;22-20-16(5-4-8-23-20)17-13-19-18(14-24-17)25-21(28-19)27-11-6-15(7-12-27)26-9-2-1-3-10-26;1-2-14-12-17-16(13-19-14)20-18(23-17)22-10-6-15(7-11-22)21-8-4-3-5-9-21;17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h4-6,15-16,18H,1-3,7-14H2;6-8,15-16,19H,2-5,9-14H2,1H3;4-5,8,13-15H,1-3,6-7,9-12H2;2,12-13,15H,1,3-11H2;10-12H,1-9H2,(H2,17,18).

What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?

6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine has a molecular weight of 1855.50 g/mol, XLogP of 19.28, 15 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;6-(6-ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158291652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).