6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine

C92H107N23O3S2 — CID 159999775

About 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine

6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 159999775) has the molecular formula C92H107N23O3S2 and a molecular weight of 1647.16 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
• PubChem CID: 159999775
• Molecular Formula: C92H107N23O3S2
• Molecular Weight: 1647.16 g/mol
• Exact Mass: 1645.84
• IUPAC Name: 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
• SMILES: Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.Cc1nnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)sc4c3)cn12.O=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1.c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1
• InChI: InChI=1S/C24H27N5O2.C23H27N7S.C23H26N6O.C22H27N5S/c30-22-14-17-12-16(4-5-20(17)26-22)18-13-21-23(25-15-18)27-24(31-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28;1-16-26-27-21-6-5-17(15-30(16)21)18-13-20-22(24-14-18)25-23(31-20)29-11-7-19(8-12-29)28-9-3-2-4-10-28;1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20;1-16-5-6-17(14-23-16)18-13-20-21(24-15-18)25-22(28-20)27-11-7-19(8-12-27)26-9-3-2-4-10-26/h4-5,12-13,15,19H,1-3,6-11,14H2,(H,26,30);5-6,13-15,19H,2-4,7-12H2,1H3;4-7,10,15-16,18H,1-3,8-9,11-14H2;5-6,13-15,19H,2-4,7-12H2,1H3
• InChIKey: OHZZMZKJXJGIPS-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 244.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.16
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?

The IUPAC name of 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine (CID 159999775) is 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine.

What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?

The canonical SMILES for 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.Cc1nnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)sc4c3)cn12.O=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1.c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1.

What is the InChIKey of 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?

The InChIKey is OHZZMZKJXJGIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C23H27N7S.C23H26N6O.C22H27N5S/c30-22-14-17-12-16(4-5-20(17)26-22)18-13-21-23(25-15-18)27-24(31-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28;1-16-26-27-21-6-5-17(15-30(16)21)18-13-20-22(24-14-18)25-23(31-20)29-11-7-19(8-12-29)28-9-3-2-4-10-28;1-2-11-27(12-3-1)18-8-13-28(14-9-18)23-26-22-21(30-23)15-17(16-24-22)20-6-4-5-19-7-10-25-29(19)20;1-16-5-6-17(14-23-16)18-13-20-21(24-15-18)25-22(28-20)27-11-7-19(8-12-27)26-9-3-2-4-10-26/h4-5,12-13,15,19H,1-3,6-11,14H2,(H,26,30);5-6,13-15,19H,2-4,7-12H2,1H3;4-7,10,15-16,18H,1-3,8-9,11-14H2;5-6,13-15,19H,2-4,7-12H2,1H3.

What are the key properties of 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine?

6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 1647.16 g/mol, XLogP of 16.51, 12 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 159999775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).