5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one

C140H188F3N25O7S6 — CID 162053130

About 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one

5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one (PubChem CID 162053130) has the molecular formula C140H188F3N25O7S6 and a molecular weight of 2582.61 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one
• PubChem CID: 162053130
• Molecular Formula: C140H188F3N25O7S6
• Molecular Weight: 2582.61 g/mol
• Exact Mass: 2580.34
• IUPAC Name: 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one
• SMILES: CC(C)C(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)CC1CCNC1.CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1cnc(N2CCN(C)CC2)s1.CCCOC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(CCC3CC3)Cc3c[nH]c4ccccc34)s2)CC1.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CC(C(F)(F)F)C3)s2)CC1
• InChI: InChI=1S/C25H29F3N4OS.C25H32N4OS.C24H33N5OS.C23H30N4O2S.C23H30N4OS.C20H34N4OS/c1-31-6-8-32(9-7-31)24-30-15-23(34-24)22(33)13-16(17-11-19(12-17)25(26,27)28)10-18-14-29-21-5-3-2-4-20(18)21;1-28-10-12-29(13-11-28)25-27-17-24(31-25)23(30)15-19(9-8-18-6-7-18)14-20-16-26-22-5-3-2-4-21(20)22;1-4-5-8-19(15-18-16-25-21-10-7-6-9-20(18)21)28(3)23(30)22-17-26-24(31-22)29-13-11-27(2)12-14-29;1-3-12-29-18(13-17-15-24-20-7-5-4-6-19(17)20)14-21(28)22-16-25-23(30-22)27-10-8-26(2)9-11-27;1-16(2)17(12-18-14-24-20-7-5-4-6-19(18)20)13-21(28)22-15-25-23(29-22)27-10-8-26(3)9-11-27;1-3-4-5-16(12-17-6-7-21-14-17)13-18(25)19-15-22-20(26-19)24-10-8-23(2)9-11-24/h2-5,14-17,19,29H,6-13H2,1H3;2-5,16-19,26H,6-15H2,1H3;6-7,9-10,16-17,19,25H,4-5,8,11-15H2,1-3H3;4-7,15-16,18,24H,3,8-14H2,1-2H3;4-7,14-17,24H,8-13H2,1-3H3;15-17,21H,3-14H2,1-2H3
• InChIKey: YYUUNSVLPTUQCN-UHFFFAOYSA-N
• XLogP: 26.37
• TPSA: 322.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 49
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.61
LogP ≤ 5	26.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one?

The IUPAC name of 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one (CID 162053130) is 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one.

What is the SMILES notation for 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one?

The canonical SMILES for 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one is CC(C)C(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)CC1CCNC1.CCCCC(Cc1c[nH]c2ccccc12)N(C)C(=O)c1cnc(N2CCN(C)CC2)s1.CCCOC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(CCC3CC3)Cc3c[nH]c4ccccc34)s2)CC1.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CC(C(F)(F)F)C3)s2)CC1.

What is the InChIKey of 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one?

The InChIKey is YYUUNSVLPTUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4OS.C25H32N4OS.C24H33N5OS.C23H30N4O2S.C23H30N4OS.C20H34N4OS/c1-31-6-8-32(9-7-31)24-30-15-23(34-24)22(33)13-16(17-11-19(12-17)25(26,27)28)10-18-14-29-21-5-3-2-4-20(18)21;1-28-10-12-29(13-11-28)25-27-17-24(31-25)23(30)15-19(9-8-18-6-7-18)14-20-16-26-22-5-3-2-4-21(20)22;1-4-5-8-19(15-18-16-25-21-10-7-6-9-20(18)21)28(3)23(30)22-17-26-24(31-22)29-13-11-27(2)12-14-29;1-3-12-29-18(13-17-15-24-20-7-5-4-6-19(17)20)14-21(28)22-16-25-23(30-22)27-10-8-26(2)9-11-27;1-16(2)17(12-18-14-24-20-7-5-4-6-19(18)20)13-21(28)22-15-25-23(29-22)27-10-8-26(3)9-11-27;1-3-4-5-16(12-17-6-7-21-14-17)13-18(25)19-15-22-20(26-19)24-10-8-23(2)9-11-24/h2-5,14-17,19,29H,6-13H2,1H3;2-5,16-19,26H,6-15H2,1H3;6-7,9-10,16-17,19,25H,4-5,8,11-15H2,1-3H3;4-7,15-16,18,24H,3,8-14H2,1-2H3;4-7,14-17,24H,8-13H2,1-3H3;15-17,21H,3-14H2,1-2H3.

What are the key properties of 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one?

5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one has a molecular weight of 2582.61 g/mol, XLogP of 26.37, 49 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one is sourced from PubChem (CID 162053130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).