3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

C163H195N33O6S6 — CID 159609935

About 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one

3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 159609935) has the molecular formula C163H195N33O6S6 and a molecular weight of 2904.98 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 159609935
• Molecular Formula: C163H195N33O6S6
• Molecular Weight: 2904.98 g/mol
• Exact Mass: 2902.43
• IUPAC Name: 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(N2CCN(C3=CC=NC3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccccc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cccnn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccnnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cn[nH]c3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cnccn3)CC2)s1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C29H34N4OS.3C27H32N6OS.C27H33N5OS.C26H32N6OS/c1-2-3-9-22(18-23-20-30-26-13-8-7-12-25(23)26)19-27(34)28-21-31-29(35-28)33-16-14-32(15-17-33)24-10-5-4-6-11-24;1-2-3-7-20(16-21-18-28-23-9-5-4-8-22(21)23)17-24(34)25-19-29-27(35-25)33-14-12-32(13-15-33)26-10-6-11-30-31-26;1-2-3-6-20(15-21-17-28-24-8-5-4-7-23(21)24)16-25(34)26-19-29-27(35-26)33-13-11-32(12-14-33)22-9-10-30-31-18-22;1-2-3-6-20(15-21-17-30-23-8-5-4-7-22(21)23)16-24(34)25-18-31-27(35-25)33-13-11-32(12-14-33)26-19-28-9-10-29-26;1-2-3-6-20(15-21-17-29-24-8-5-4-7-23(21)24)16-25(33)26-19-30-27(34-26)32-13-11-31(12-14-32)22-9-10-28-18-22;1-2-3-6-19(13-20-15-27-23-8-5-4-7-22(20)23)14-24(33)25-18-28-26(34-25)32-11-9-31(10-12-32)21-16-29-30-17-21/h4-8,10-13,20-22,30H,2-3,9,14-19H2,1H3;4-6,8-11,18-20,28H,2-3,7,12-17H2,1H3;4-5,7-10,17-20,28H,2-3,6,11-16H2,1H3;4-5,7-10,17-20,30H,2-3,6,11-16H2,1H3;4-5,7-10,17,19-20,29H,2-3,6,11-16,18H2,1H3;4-5,7-8,15-19,27H,2-3,6,9-14H2,1H3,(H,29,30)
• InChIKey: MMOCOBCSUJQICH-UHFFFAOYSA-N
• XLogP: 33.29
• TPSA: 431.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 60
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2904.98
LogP ≤ 5	33.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one (CID 159609935) is 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCN(C3=CC=NC3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccccc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cccnn3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3ccnnc3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cn[nH]c3)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(c3cnccn3)CC2)s1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is MMOCOBCSUJQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4OS.3C27H32N6OS.C27H33N5OS.C26H32N6OS/c1-2-3-9-22(18-23-20-30-26-13-8-7-12-25(23)26)19-27(34)28-21-31-29(35-28)33-16-14-32(15-17-33)24-10-5-4-6-11-24;1-2-3-7-20(16-21-18-28-23-9-5-4-8-22(21)23)17-24(34)25-19-29-27(35-25)33-14-12-32(13-15-33)26-10-6-11-30-31-26;1-2-3-6-20(15-21-17-28-24-8-5-4-7-23(21)24)16-25(34)26-19-29-27(35-26)33-13-11-32(12-14-33)22-9-10-30-31-18-22;1-2-3-6-20(15-21-17-30-23-8-5-4-7-22(21)23)16-24(34)25-18-31-27(35-25)33-13-11-32(12-14-33)26-19-28-9-10-29-26;1-2-3-6-20(15-21-17-29-24-8-5-4-7-23(21)24)16-25(33)26-19-30-27(34-26)32-13-11-31(12-14-32)22-9-10-28-18-22;1-2-3-6-19(13-20-15-27-23-8-5-4-7-22(20)23)14-24(33)25-18-28-26(34-25)32-11-9-31(10-12-32)21-16-29-30-17-21/h4-8,10-13,20-22,30H,2-3,9,14-19H2,1H3;4-6,8-11,18-20,28H,2-3,7,12-17H2,1H3;4-5,7-10,17-20,28H,2-3,6,11-16H2,1H3;4-5,7-10,17-20,30H,2-3,6,11-16H2,1H3;4-5,7-10,17,19-20,29H,2-3,6,11-16,18H2,1H3;4-5,7-8,15-19,27H,2-3,6,9-14H2,1H3,(H,29,30).

What are the key properties of 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2904.98 g/mol, XLogP of 33.29, 60 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2H-pyrrol-3-yl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 159609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).