1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one

C144H191F2N25O6S6 — CID 157063415

About 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one

1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one (PubChem CID 157063415) has the molecular formula C144H191F2N25O6S6 and a molecular weight of 2598.68 g/mol. Its IUPAC name is 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one.

Molecular Properties

• Compound Name: 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one
• PubChem CID: 157063415
• Molecular Formula: C144H191F2N25O6S6
• Molecular Weight: 2598.68 g/mol
• Exact Mass: 2596.37
• IUPAC Name: 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(C2(F)CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(C2CCN(C)CC2F)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1[nH]nc2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cnccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ncccc12
• InChI: InChI=1S/2C25H32FN3OS.C25H34N4OS.3C23H31N5OS/c1-3-4-7-18(14-19-16-27-21-9-6-5-8-20(19)21)15-22(30)23-17-28-24(31-23)25(26)10-12-29(2)13-11-25;1-3-4-7-17(12-18-14-27-22-9-6-5-8-19(18)22)13-23(30)24-15-28-25(31-24)20-10-11-29(2)16-21(20)26;1-3-4-8-19(15-20-17-26-22-10-6-5-9-21(20)22)16-23(30)24-18-27-25(31-24)29-12-7-11-28(2)13-14-29;1-3-4-7-17(14-20-18-8-5-6-9-19(18)25-26-20)15-21(29)22-16-24-23(30-22)28-12-10-27(2)11-13-28;1-3-4-6-17(13-18-15-25-22-19(18)7-5-8-24-22)14-20(29)21-16-26-23(30-21)28-11-9-27(2)10-12-28;1-3-4-5-17(12-18-14-25-20-15-24-7-6-19(18)20)13-21(29)22-16-26-23(30-22)28-10-8-27(2)9-11-28/h5-6,8-9,16-18,27H,3-4,7,10-15H2,1-2H3;5-6,8-9,14-15,17,20-21,27H,3-4,7,10-13,16H2,1-2H3;5-6,9-10,17-19,26H,3-4,7-8,11-16H2,1-2H3;5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,25,26);5,7-8,15-17H,3-4,6,9-14H2,1-2H3,(H,24,25);6-7,14-17,25H,3-5,8-13H2,1-2H3
• InChIKey: ABPAEDLAEOTDAV-UHFFFAOYSA-N
• XLogP: 30.71
• TPSA: 345.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 54
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.68
LogP ≤ 5	30.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one?

The IUPAC name of 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one (CID 157063415) is 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one.

What is the SMILES notation for 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one?

The canonical SMILES for 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one is CCCCC(CC(=O)c1cnc(C2(F)CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(C2CCN(C)CC2F)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1[nH]nc2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cnccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ncccc12.

What is the InChIKey of 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one?

The InChIKey is ABPAEDLAEOTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H32FN3OS.C25H34N4OS.3C23H31N5OS/c1-3-4-7-18(14-19-16-27-21-9-6-5-8-20(19)21)15-22(30)23-17-28-24(31-23)25(26)10-12-29(2)13-11-25;1-3-4-7-17(12-18-14-27-22-9-6-5-8-19(18)22)13-23(30)24-15-28-25(31-24)20-10-11-29(2)16-21(20)26;1-3-4-8-19(15-20-17-26-22-10-6-5-9-21(20)22)16-23(30)24-18-27-25(31-24)29-12-7-11-28(2)13-14-29;1-3-4-7-17(14-20-18-8-5-6-9-19(18)25-26-20)15-21(29)22-16-24-23(30-22)28-12-10-27(2)11-13-28;1-3-4-6-17(13-18-15-25-22-19(18)7-5-8-24-22)14-20(29)21-16-26-23(30-21)28-11-9-27(2)10-12-28;1-3-4-5-17(12-18-14-25-20-15-24-7-6-19(18)20)13-21(29)22-16-26-23(30-22)28-10-8-27(2)9-11-28/h5-6,8-9,16-18,27H,3-4,7,10-15H2,1-2H3;5-6,8-9,14-15,17,20-21,27H,3-4,7,10-13,16H2,1-2H3;5-6,9-10,17-19,26H,3-4,7-8,11-16H2,1-2H3;5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,25,26);5,7-8,15-17H,3-4,6,9-14H2,1-2H3,(H,24,25);6-7,14-17,25H,3-5,8-13H2,1-2H3.

What are the key properties of 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one?

1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one has a molecular weight of 2598.68 g/mol, XLogP of 30.71, 54 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4-fluoro-1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(2H-indazol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)heptan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)heptan-1-one is sourced from PubChem (CID 157063415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).