6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine

C113H137N25O8S2 — CID 158317327

About 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine

6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 158317327) has the molecular formula C113H137N25O8S2 and a molecular weight of 2037.64 g/mol. Its IUPAC name is 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
• PubChem CID: 158317327
• Molecular Formula: C113H137N25O8S2
• Molecular Weight: 2037.64 g/mol
• Exact Mass: 2036.05
• IUPAC Name: 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
• SMILES: COC1=CC=NC2C(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)=CC=CC12.COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1.COc1ccc(CNC(=O)c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1.O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12.c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
• InChI: InChI=1S/C26H31N5O2.C25H31N5O2S.C24H26N6O2.C22H27N5O2.C16H22N4S/c1-32-22-8-11-27-24-20(6-5-7-21(22)24)18-16-23-25(28-17-18)29-26(33-23)31-14-9-19(10-15-31)30-12-3-2-4-13-30;1-32-20-7-5-18(6-8-20)16-27-24(31)21-15-23-22(17-26-21)28-25(33-23)30-13-9-19(10-14-30)29-11-3-2-4-12-29;31-21-6-9-25-23-19(5-4-12-30(21)23)17-15-20-22(26-16-17)27-24(32-20)29-13-7-18(8-14-29)28-10-2-1-3-11-28;1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26;1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h5-8,11,16-17,19,21,24H,2-4,9-10,12-15H2,1H3;5-8,15,17,19H,2-4,9-14,16H2,1H3,(H,27,31);4-6,9,12,15-16,18H,1-3,7-8,10-11,13-14H2;5,8,13-15,18H,2-4,6-7,9-12H2,1H3;4,7,12-13H,1-3,5-6,8-11H2
• InChIKey: GOKNTIXGQZUDIM-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 317.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.64
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?

The IUPAC name of 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 158317327) is 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

What is the SMILES notation for 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?

The canonical SMILES for 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is COC1=CC=NC2C(c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)=CC=CC12.COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1.COc1ccc(CNC(=O)c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cc1.O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12.c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.

What is the InChIKey of 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?

The InChIKey is GOKNTIXGQZUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2.C25H31N5O2S.C24H26N6O2.C22H27N5O2.C16H22N4S/c1-32-22-8-11-27-24-20(6-5-7-21(22)24)18-16-23-25(28-17-18)29-26(33-23)31-14-9-19(10-15-31)30-12-3-2-4-13-30;1-32-20-7-5-18(6-8-20)16-27-24(31)21-15-23-22(17-26-21)28-25(33-23)30-13-9-19(10-14-30)29-11-3-2-4-12-29;31-21-6-9-25-23-19(5-4-12-30(21)23)17-15-20-22(26-16-17)27-24(32-20)29-13-7-18(8-14-29)28-10-2-1-3-11-28;1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26;1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h5-8,11,16-17,19,21,24H,2-4,9-10,12-15H2,1H3;5-8,15,17,19H,2-4,9-14,16H2,1H3,(H,27,31);4-6,9,12,15-16,18H,1-3,7-8,10-11,13-14H2;5,8,13-15,18H,2-4,6-7,9-12H2,1H3;4,7,12-13H,1-3,5-6,8-11H2.

What are the key properties of 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?

6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 2037.64 g/mol, XLogP of 18.56, 19 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxy-4a,8a-dihydroquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;9-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 158317327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).