3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one

C165H195N33O6S6 — CID 159571651

About 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one

3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 159571651) has the molecular formula C165H195N33O6S6 and a molecular weight of 2929.00 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 159571651
• Molecular Formula: C165H195N33O6S6
• Molecular Weight: 2929.00 g/mol
• Exact Mass: 2926.43
• IUPAC Name: 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(N2CCN(c3ccccn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cccnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccncc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccncn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cncnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ncccn3)CC2)s1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/3C28H33N5OS.3C27H32N6OS/c1-2-3-8-21(17-22-19-30-24-10-5-4-9-23(22)24)18-25(34)26-20-31-28(35-26)33-15-13-32(14-16-33)27-11-6-7-12-29-27;1-2-3-7-21(16-22-18-30-25-10-5-4-9-24(22)25)17-26(34)27-20-31-28(35-27)33-14-12-32(13-15-33)23-8-6-11-29-19-23;1-2-3-6-21(17-22-19-30-25-8-5-4-7-24(22)25)18-26(34)27-20-31-28(35-27)33-15-13-32(14-16-33)23-9-11-29-12-10-23;1-2-3-7-20(16-21-18-30-23-9-5-4-8-22(21)23)17-24(34)25-19-31-27(35-25)33-14-12-32(13-15-33)26-28-10-6-11-29-26;1-2-3-6-20(13-21-15-30-24-8-5-4-7-23(21)24)14-25(34)26-18-31-27(35-26)33-11-9-32(10-12-33)22-16-28-19-29-17-22;1-2-3-6-20(15-21-17-29-23-8-5-4-7-22(21)23)16-24(34)25-18-30-27(35-25)33-13-11-32(12-14-33)26-9-10-28-19-31-26/h4-7,9-12,19-21,30H,2-3,8,13-18H2,1H3;4-6,8-11,18-21,30H,2-3,7,12-17H2,1H3;4-5,7-12,19-21,30H,2-3,6,13-18H2,1H3;4-6,8-11,18-20,30H,2-3,7,12-17H2,1H3;4-5,7-8,15-20,30H,2-3,6,9-14H2,1H3;4-5,7-10,17-20,29H,2-3,6,11-16H2,1H3
• InChIKey: MHWWPBJAOHDSRI-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 429.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 60
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2929.00
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one (CID 159571651) is 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCN(c3ccccn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cccnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccncc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccncn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cncnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ncccn3)CC2)s1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is MHWWPBJAOHDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H33N5OS.3C27H32N6OS/c1-2-3-8-21(17-22-19-30-24-10-5-4-9-23(22)24)18-25(34)26-20-31-28(35-26)33-15-13-32(14-16-33)27-11-6-7-12-29-27;1-2-3-7-21(16-22-18-30-25-10-5-4-9-24(22)25)17-26(34)27-20-31-28(35-27)33-14-12-32(13-15-33)23-8-6-11-29-19-23;1-2-3-6-21(17-22-19-30-25-8-5-4-7-24(22)25)18-26(34)27-20-31-28(35-27)33-15-13-32(14-16-33)23-9-11-29-12-10-23;1-2-3-7-20(16-21-18-30-23-9-5-4-8-22(21)23)17-24(34)25-19-31-27(35-25)33-14-12-32(13-15-33)26-28-10-6-11-29-26;1-2-3-6-20(13-21-15-30-24-8-5-4-7-23(21)24)14-25(34)26-18-31-27(35-26)33-11-9-32(10-12-33)22-16-28-19-29-17-22;1-2-3-6-20(15-21-17-29-23-8-5-4-7-22(21)23)16-24(34)25-18-30-27(35-25)33-13-11-32(12-14-33)26-9-10-28-19-31-26/h4-7,9-12,19-21,30H,2-3,8,13-18H2,1H3;4-6,8-11,18-21,30H,2-3,7,12-17H2,1H3;4-5,7-12,19-21,30H,2-3,6,13-18H2,1H3;4-6,8-11,18-20,30H,2-3,7,12-17H2,1H3;4-5,7-8,15-20,30H,2-3,6,9-14H2,1H3;4-5,7-10,17-20,29H,2-3,6,11-16H2,1H3.

What are the key properties of 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one?

3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2929.00 g/mol, XLogP of 33.99, 60 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrimidin-5-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 159571651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).