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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

C106H116F4N30O17S5 — CID 160975443

About 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 160975443) has the molecular formula C106H116F4N30O17S5 and a molecular weight of 2318.61 g/mol. Its IUPAC name is 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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: 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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: 160975443
• Molecular Formula: C106H116F4N30O17S5
• Molecular Weight: 2318.61 g/mol
• Exact Mass: 2316.77
• IUPAC Name: 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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: CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5C(=O)N(C)C)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5C(=O)N5CCN(C)CC5)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCN(C)S5(=O)=O)s4)nc23)CC1.CNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCN(C)CC4)ccn3c(=O)c2O)s1
• InChI: InChI=1S/C29H33FN8O4S.C26H29FN8O5S2.C26H28FN7O4S.C25H26FN7O4S/c1-33-5-9-35(10-6-33)23(39)18-37-13-14-38-28(42)25(40)24(32-29(37)38)26-31-17-21(43-26)15-19-3-4-20(30)16-22(19)27(41)36-11-7-34(2)8-12-36;1-30-5-8-32(9-6-30)21(36)16-33-10-11-34-25(38)23(37)22(29-26(33)34)24-28-15-19(41-24)13-17-3-4-18(27)14-20(17)35-12-7-31(2)42(35,39)40;1-30(2)24(37)19-13-17(27)5-4-16(19)12-18-14-28-23(39-18)21-22(36)25(38)34-11-10-33(26(34)29-21)15-20(35)32-8-6-31(3)7-9-32;1-27-22(36)18-12-16(26)4-3-15(18)11-17-13-28-23(38-17)20-21(35)24(37)33-10-9-32(25(33)29-20)14-19(34)31-7-5-30(2)6-8-31/h3-4,13-14,16-17,40H,5-12,15,18H2,1-2H3;3-4,10-11,14-15,37H,5-9,12-13,16H2,1-2H3;4-5,10-11,13-14,36H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,35H,5-8,11,14H2,1-2H3,(H,27,36)
• InChIKey: SYUNMQCTFSLIJJ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 497.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2318.61
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 160975443) is 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5C(=O)N(C)C)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5C(=O)N5CCN(C)CC5)s4)nc23)CC1.CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCN(C)S5(=O)=O)s4)nc23)CC1.CNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3n(CC(=O)N4CCN(C)CC4)ccn3c(=O)c2O)s1.

What is the InChIKey of 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 SYUNMQCTFSLIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN8O4S.C26H29FN8O5S2.C26H28FN7O4S.C25H26FN7O4S/c1-33-5-9-35(10-6-33)23(39)18-37-13-14-38-28(42)25(40)24(32-29(37)38)26-31-17-21(43-26)15-19-3-4-20(30)16-22(19)27(41)36-11-7-34(2)8-12-36;1-30-5-8-32(9-6-30)21(36)16-33-10-11-34-25(38)23(37)22(29-26(33)34)24-28-15-19(41-24)13-17-3-4-18(27)14-20(17)35-12-7-31(2)42(35,39)40;1-30(2)24(37)19-13-17(27)5-4-16(19)12-18-14-28-23(39-18)21-22(36)25(38)34-11-10-33(26(34)29-21)15-20(35)32-8-6-31(3)7-9-32;1-27-22(36)18-12-16(26)4-3-15(18)11-17-13-28-23(38-17)20-21(35)24(37)33-10-9-32(25(33)29-20)14-19(34)31-7-5-30(2)6-8-31/h3-4,13-14,16-17,40H,5-12,15,18H2,1-2H3;3-4,10-11,14-15,37H,5-9,12-13,16H2,1-2H3;4-5,10-11,13-14,36H,6-9,12,15H2,1-3H3;3-4,9-10,12-13,35H,5-8,11,14H2,1-2H3,(H,27,36).

What are the key properties of 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?

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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 2318.61 g/mol, XLogP of 4.76, 24 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-N,N-dimethylbenzamide;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]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)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-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)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 160975443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).