4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one

C153H199F7N24O6S6 — CID 157085067

About 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one

4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 157085067) has the molecular formula C153H199F7N24O6S6 and a molecular weight of 2795.82 g/mol. Its IUPAC name is 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 157085067
• Molecular Formula: C153H199F7N24O6S6
• Molecular Weight: 2795.82 g/mol
• Exact Mass: 2793.42
• IUPAC Name: 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CC(C)CCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CC1CC(CC(CC(=O)c2cnc(N3CCN(C)CC3)s2)Cc2c[nH]c3ccccc23)C1.CC1CCCC(C(CC(=O)c2cnc(N3CCN(C)CC3)s2)Cc2c[nH]c3ccccc23)C1.CCCC(F)(F)C(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC(C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC(F)(F)C2)s1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C27H36N4OS.C26H33F3N4OS.C26H34N4OS.C25H32F2N4OS.C25H34N4OS.C24H30F2N4OS/c1-19-6-5-7-20(14-19)21(15-22-17-28-24-9-4-3-8-23(22)24)16-25(32)26-18-29-27(33-26)31-12-10-30(2)11-13-31;1-3-4-7-18(12-19-14-30-22-9-6-5-8-21(19)22)13-23(34)24-15-31-25(35-24)33-11-10-32(2)16-20(17-33)26(27,28)29;1-18-11-19(12-18)13-20(14-21-16-27-23-6-4-3-5-22(21)23)15-24(31)25-17-28-26(32-25)30-9-7-29(2)8-10-30;1-3-4-7-18(12-19-14-28-21-9-6-5-8-20(19)21)13-22(32)23-15-29-24(33-23)31-11-10-30(2)16-25(26,27)17-31;1-18(2)8-9-19(14-20-16-26-22-7-5-4-6-21(20)22)15-23(30)24-17-27-25(31-24)29-12-10-28(3)11-13-29;1-3-8-24(25,26)18(13-17-15-27-20-7-5-4-6-19(17)20)14-21(31)22-16-28-23(32-22)30-11-9-29(2)10-12-30/h3-4,8-9,17-21,28H,5-7,10-16H2,1-2H3;5-6,8-9,14-15,18,20,30H,3-4,7,10-13,16-17H2,1-2H3;3-6,16-20,27H,7-15H2,1-2H3;5-6,8-9,14-15,18,28H,3-4,7,10-13,16-17H2,1-2H3;4-7,16-19,26H,8-15H2,1-3H3;4-7,15-16,18,27H,3,8-14H2,1-2H3
• InChIKey: ADZMZNLSMGXAKK-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 313.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 51
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2795.82
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one (CID 157085067) is 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one is CC(C)CCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CC1CC(CC(CC(=O)c2cnc(N3CCN(C)CC3)s2)Cc2c[nH]c3ccccc23)C1.CC1CCCC(C(CC(=O)c2cnc(N3CCN(C)CC3)s2)Cc2c[nH]c3ccccc23)C1.CCCC(F)(F)C(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC(C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC(F)(F)C2)s1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is ADZMZNLSMGXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4OS.C26H33F3N4OS.C26H34N4OS.C25H32F2N4OS.C25H34N4OS.C24H30F2N4OS/c1-19-6-5-7-20(14-19)21(15-22-17-28-24-9-4-3-8-23(22)24)16-25(32)26-18-29-27(33-26)31-12-10-30(2)11-13-31;1-3-4-7-18(12-19-14-30-22-9-6-5-8-21(19)22)13-23(34)24-15-31-25(35-24)33-11-10-32(2)16-20(17-33)26(27,28)29;1-18-11-19(12-18)13-20(14-21-16-27-23-6-4-3-5-22(21)23)15-24(31)25-17-28-26(32-25)30-9-7-29(2)8-10-30;1-3-4-7-18(12-19-14-28-21-9-6-5-8-20(19)21)13-22(32)23-15-29-24(33-23)31-11-10-30(2)16-25(26,27)17-31;1-18(2)8-9-19(14-20-16-26-22-7-5-4-6-21(20)22)15-23(30)24-17-27-25(31-24)29-12-10-28(3)11-13-29;1-3-8-24(25,26)18(13-17-15-27-20-7-5-4-6-19(17)20)14-21(31)22-16-28-23(32-22)30-11-9-29(2)10-12-30/h3-4,8-9,17-21,28H,5-7,10-16H2,1-2H3;5-6,8-9,14-15,18,20,30H,3-4,7,10-13,16-17H2,1-2H3;3-6,16-20,27H,7-15H2,1-2H3;5-6,8-9,14-15,18,28H,3-4,7,10-13,16-17H2,1-2H3;4-7,16-19,26H,8-15H2,1-3H3;4-7,15-16,18,27H,3,8-14H2,1-2H3.

What are the key properties of 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one?

4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2795.82 g/mol, XLogP of 33.18, 51 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 157085067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).