7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

C107H120F4N30O18S6 — CID 159706653

About 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 159706653) has the molecular formula C107H120F4N30O18S6 and a molecular weight of 2382.72 g/mol. Its IUPAC name is 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 159706653
• Molecular Formula: C107H120F4N30O18S6
• Molecular Weight: 2382.72 g/mol
• Exact Mass: 2380.77
• IUPAC Name: 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
• SMILES: CN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCN(C)CC4)ccn3c(=O)c2O)s1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5CN5CCN(C)S5(=O)=O)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N(C)C(=O)C(=O)N(C)C)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCCS5(=O)=O)s4)nc23)CC1
• InChI: InChI=1S/C28H31FN8O5S.C27H31FN8O5S2.C26H28FN7O5S2.C26H30FN7O3S/c1-32(2)26(41)27(42)34(4)20-14-18(29)6-5-17(20)13-19-15-30-24(43-19)22-23(39)25(40)37-12-11-36(28(37)31-22)16-21(38)35-9-7-33(3)8-10-35;1-31-5-8-33(9-6-31)22(37)17-34-10-12-36-26(39)24(38)23(30-27(34)36)25-29-15-21(42-25)14-18-3-4-20(28)13-19(18)16-35-11-7-32(2)43(35,40)41;1-30-6-8-31(9-7-30)21(35)16-32-10-11-33-25(37)23(36)22(29-26(32)33)24-28-15-19(40-24)13-17-3-4-18(27)14-20(17)34-5-2-12-41(34,38)39;1-30(2)15-18-12-19(27)5-4-17(18)13-20-14-28-24(38-20)22-23(36)25(37)34-11-10-33(26(34)29-22)16-21(35)32-8-6-31(3)7-9-32/h5-6,11-12,14-15,39H,7-10,13,16H2,1-4H3;3-4,10,12-13,15,38H,5-9,11,14,16-17H2,1-2H3;3-4,10-11,14-15,36H,2,5-9,12-13,16H2,1H3;4-5,10-12,14,36H,6-9,13,15-16H2,1-3H3
• InChIKey: MYHJLBBFUBBCQJ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 505.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2382.72
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (CID 159706653) is 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is CN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCN(C)CC4)ccn3c(=O)c2O)s1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5CN5CCN(C)S5(=O)=O)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N(C)C(=O)C(=O)N(C)C)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCCS5(=O)=O)s4)nc23)CC1.

What is the InChIKey of 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is MYHJLBBFUBBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O5S.C27H31FN8O5S2.C26H28FN7O5S2.C26H30FN7O3S/c1-32(2)26(41)27(42)34(4)20-14-18(29)6-5-17(20)13-19-15-30-24(43-19)22-23(39)25(40)37-12-11-36(28(37)31-22)16-21(38)35-9-7-33(3)8-10-35;1-31-5-8-33(9-6-31)22(37)17-34-10-12-36-26(39)24(38)23(30-27(34)36)25-29-15-21(42-25)14-18-3-4-20(28)13-19(18)16-35-11-7-32(2)43(35,40)41;1-30-6-8-31(9-7-30)21(35)16-32-10-11-33-25(37)23(36)22(29-26(32)33)24-28-15-19(40-24)13-17-3-4-18(27)14-20(17)34-5-2-12-41(34,38)39;1-30(2)15-18-12-19(27)5-4-17(18)13-20-14-28-24(38-20)22-23(36)25(37)34-11-10-33(26(34)29-22)16-21(35)32-8-6-31(3)7-9-32/h5-6,11-12,14-15,39H,7-10,13,16H2,1-4H3;3-4,10,12-13,15,38H,5-9,11,14,16-17H2,1-2H3;3-4,10-11,14-15,36H,2,5-9,12-13,16H2,1H3;4-5,10-12,14,36H,6-9,13,15-16H2,1-3H3.

What are the key properties of 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?

7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 2382.72 g/mol, XLogP of 4.96, 26 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;7-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one;N'-[5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;7-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 159706653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).