3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one

C143H193N27O7S4 — CID 157168239

About 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one

3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one (PubChem CID 157168239) has the molecular formula C143H193N27O7S4 and a molecular weight of 2530.57 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one.

Molecular Properties

• Compound Name: 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
• PubChem CID: 157168239
• Molecular Formula: C143H193N27O7S4
• Molecular Weight: 2530.57 g/mol
• Exact Mass: 2528.45
• IUPAC Name: 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCNCC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nc(N2CCN(C)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C26H36N4OS.C24H32N4O2.C24H32N4OS.C23H32N6O.C23H31N5OS.C23H30N4OS/c1-3-4-7-20(16-21-18-27-23-9-6-5-8-22(21)23)17-24(31)25-19-28-26(32-25)10-11-30-14-12-29(2)13-15-30;2*1-3-4-7-18(14-19-16-25-21-9-6-5-8-20(19)21)15-22(29)23-17-26-24(30-23)28-12-10-27(2)11-13-28;1-3-4-7-17(14-18-16-24-20-9-6-5-8-19(18)20)15-21(30)22-25-23(27-26-22)29-12-10-28(2)11-13-29;1-3-4-7-17(14-18-16-24-20-9-6-5-8-19(18)20)15-21(29)22-25-26-23(30-22)28-12-10-27(2)11-13-28;1-2-3-6-17(13-18-15-25-20-8-5-4-7-19(18)20)14-21(28)22-16-26-23(29-22)27-11-9-24-10-12-27/h5-6,8-9,18-20,27H,3-4,7,10-17H2,1-2H3;2*5-6,8-9,16-18,25H,3-4,7,10-15H2,1-2H3;5-6,8-9,16-17,24H,3-4,7,10-15H2,1-2H3,(H,25,26,27);5-6,8-9,16-17,24H,3-4,7,10-15H2,1-2H3;4-5,7-8,15-17,24-25H,2-3,6,9-14H2,1H3
• InChIKey: ANDXVKKIIJTLBC-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 376.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 56
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.57
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?

The IUPAC name of 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one (CID 157168239) is 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one.

What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?

The canonical SMILES for 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one is CCCCC(CC(=O)c1cnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCNCC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nc(N2CCN(C)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?

The InChIKey is ANDXVKKIIJTLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4OS.C24H32N4O2.C24H32N4OS.C23H32N6O.C23H31N5OS.C23H30N4OS/c1-3-4-7-20(16-21-18-27-23-9-6-5-8-22(21)23)17-24(31)25-19-28-26(32-25)10-11-30-14-12-29(2)13-15-30;2*1-3-4-7-18(14-19-16-25-21-9-6-5-8-20(19)21)15-22(29)23-17-26-24(30-23)28-12-10-27(2)11-13-28;1-3-4-7-17(14-18-16-24-20-9-6-5-8-19(18)20)15-21(30)22-25-23(27-26-22)29-12-10-28(2)11-13-29;1-3-4-7-17(14-18-16-24-20-9-6-5-8-19(18)20)15-21(29)22-25-26-23(30-22)28-12-10-27(2)11-13-28;1-2-3-6-17(13-18-15-25-20-8-5-4-7-19(18)20)14-21(28)22-16-26-23(29-22)27-11-9-24-10-12-27/h5-6,8-9,18-20,27H,3-4,7,10-17H2,1-2H3;2*5-6,8-9,16-18,25H,3-4,7,10-15H2,1-2H3;5-6,8-9,16-17,24H,3-4,7,10-15H2,1-2H3,(H,25,26,27);5-6,8-9,16-17,24H,3-4,7,10-15H2,1-2H3;4-5,7-8,15-17,24-25H,2-3,6,9-14H2,1H3.

What are the key properties of 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?

3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one has a molecular weight of 2530.57 g/mol, XLogP of 27.27, 56 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-ylmethyl)-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one is sourced from PubChem (CID 157168239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).