6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C90H106N20O4S2 — CID 157136902

About 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 157136902) has the molecular formula C90H106N20O4S2 and a molecular weight of 1596.11 g/mol. Its IUPAC name is 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
• PubChem CID: 157136902
• Molecular Formula: C90H106N20O4S2
• Molecular Weight: 1596.11 g/mol
• Exact Mass: 1594.81
• IUPAC Name: 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
• SMILES: CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1.CC(=O)Nc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1.N#Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c2ccncc2c1
• InChI: InChI=1S/C25H27N5S.2C24H29N5O2.C17H21N5S/c1-2-11-29(12-3-1)20-8-13-30(14-9-20)25-28-24-23(31-25)15-19(17-27-24)21-6-4-5-18-16-26-10-7-22(18)21;1-17(30)26-20-7-5-18(6-8-20)19-15-22-23(25-16-19)27-24(31-22)29-13-9-21(10-14-29)28-11-3-2-4-12-28;1-17(30)26-20-7-5-6-18(14-20)19-15-22-23(25-16-19)27-24(31-22)29-12-8-21(9-13-29)28-10-3-2-4-11-28;18-11-13-10-15-16(19-12-13)20-17(23-15)22-8-4-14(5-9-22)21-6-2-1-3-7-21/h4-7,10,15-17,20H,1-3,8-9,11-14H2;5-8,15-16,21H,2-4,9-14H2,1H3,(H,26,30);5-7,14-16,21H,2-4,8-13H2,1H3,(H,26,30);10,12,14H,1-9H2
• InChIKey: AJSOKOJIARXYID-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 250.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.11
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The IUPAC name of 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 157136902) is 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

What is the SMILES notation for 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The canonical SMILES for 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1.CC(=O)Nc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1.N#Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c2ccncc2c1.

What is the InChIKey of 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

The InChIKey is AJSOKOJIARXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5S.2C24H29N5O2.C17H21N5S/c1-2-11-29(12-3-1)20-8-13-30(14-9-20)25-28-24-23(31-25)15-19(17-27-24)21-6-4-5-18-16-26-10-7-22(18)21;1-17(30)26-20-7-5-18(6-8-20)19-15-22-23(25-16-19)27-24(31-22)29-13-9-21(10-14-29)28-11-3-2-4-12-28;1-17(30)26-20-7-5-6-18(14-20)19-15-22-23(25-16-19)27-24(31-22)29-12-8-21(9-13-29)28-10-3-2-4-11-28;18-11-13-10-15-16(19-12-13)20-17(23-15)22-8-4-14(5-9-22)21-6-2-1-3-7-21/h4-7,10,15-17,20H,1-3,8-9,11-14H2;5-8,15-16,21H,2-4,9-14H2,1H3,(H,26,30);5-7,14-16,21H,2-4,8-13H2,1H3,(H,26,30);10,12,14H,1-9H2.

What are the key properties of 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?

6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 1596.11 g/mol, XLogP of 16.98, 13 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-isoquinolin-5-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 157136902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).