3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one

C99H103F4N25O19S8 — CID 161356820

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 161356820) has the molecular formula C99H103F4N25O19S8 and a molecular weight of 2279.60 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 161356820
• Molecular Formula: C99H103F4N25O19S8
• Molecular Weight: 2279.60 g/mol
• Exact Mass: 2277.56
• IUPAC Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one
• SMILES: CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4n(CC(=O)N5CCCCC5)ccn4c(=O)c3O)s2)S1(=O)=O.CN1CCN(c2cn(CC(=O)N3CCCCC3)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n23)S1(=O)=O.Cn1cc(N2CCCS2(=O)=O)n2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12.O=C(Cn1cc(N2CCCS2(=O)=O)n2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1
• InChI: InChI=1S/C27H30FN7O5S2.C26H28FN7O5S2.C26H27FN6O5S2.C20H18FN5O4S2/c1-31-9-11-34(42(31,39)40)16-19-13-20(28)6-5-18(19)14-21-15-29-25(41-21)23-24(37)26(38)35-12-10-33(27(35)30-23)17-22(36)32-7-3-2-4-8-32;1-30-11-12-33(41(30,38)39)20-15-32(16-21(35)31-9-3-2-4-10-31)26-29-22(23(36)25(37)34(20)26)24-28-14-19(40-24)13-17-5-7-18(27)8-6-17;27-18-7-5-17(6-8-18)13-19-14-28-24(39-19)22-23(35)25(36)33-20(32-11-4-12-40(32,37)38)15-31(26(33)29-22)16-21(34)30-9-2-1-3-10-30;1-24-11-15(25-7-2-8-32(25,29)30)26-19(28)17(27)16(23-20(24)26)18-22-10-14(31-18)9-12-3-5-13(21)6-4-12/h5-6,10,12-13,15,37H,2-4,7-9,11,14,16-17H2,1H3;5-8,14-15,36H,2-4,9-13,16H2,1H3;5-8,14-15,35H,1-4,9-13,16H2;3-6,10-11,27H,2,7-9H2,1H3
• InChIKey: VOQQLCQZIDCESU-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 506.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.60
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one (CID 161356820) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one is CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4n(CC(=O)N5CCCCC5)ccn4c(=O)c3O)s2)S1(=O)=O.CN1CCN(c2cn(CC(=O)N3CCCCC3)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n23)S1(=O)=O.Cn1cc(N2CCCS2(=O)=O)n2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12.O=C(Cn1cc(N2CCCS2(=O)=O)n2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)N1CCCCC1.

What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is VOQQLCQZIDCESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O5S2.C26H28FN7O5S2.C26H27FN6O5S2.C20H18FN5O4S2/c1-31-9-11-34(42(31,39)40)16-19-13-20(28)6-5-18(19)14-21-15-29-25(41-21)23-24(37)26(38)35-12-10-33(27(35)30-23)17-22(36)32-7-3-2-4-8-32;1-30-11-12-33(41(30,38)39)20-15-32(16-21(35)31-9-3-2-4-10-31)26-29-22(23(36)25(37)34(20)26)24-28-14-19(40-24)13-17-5-7-18(27)8-6-17;27-18-7-5-17(6-8-18)13-19-14-28-24(39-19)22-23(35)25(36)33-20(32-11-4-12-40(32,37)38)15-31(26(33)29-22)16-21(34)30-9-2-1-3-10-30;1-24-11-15(25-7-2-8-32(25,29)30)26-19(28)17(27)16(23-20(24)26)18-22-10-14(31-18)9-12-3-5-13(21)6-4-12/h5-6,10,12-13,15,37H,2-4,7-9,11,14,16-17H2,1H3;5-8,14-15,36H,2-4,9-13,16H2,1H3;5-8,14-15,35H,1-4,9-13,16H2;3-6,10-11,27H,2,7-9H2,1H3.

What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one?

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 2279.60 g/mol, XLogP of 8.86, 23 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-methylimidazo[1,2-a]pyrimidin-5-one;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;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-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one;7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 161356820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).