2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one

C133H162N16O22S6 — CID 163646180

About 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one

2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one (PubChem CID 163646180) has the molecular formula C133H162N16O22S6 and a molecular weight of 2529.25 g/mol. Its IUPAC name is 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one
• PubChem CID: 163646180
• Molecular Formula: C133H162N16O22S6
• Molecular Weight: 2529.25 g/mol
• Exact Mass: 2527.04
• IUPAC Name: 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one
• SMILES: CC(=O)N1CCCCC1C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(-c3sccc3C)cc2)C1.Cc1cc(C(C(=O)N2CC(O)CC2C2=NOC(C)(C)C2)C(C)C)on1.Cc1ccsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C(C(C)C)N3Cc4ccccc4C3=O)=NC2=O)cc1.Cc1ccsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3CCCCN3S(C)(=O)=O)=NC2=O)cc1.Cc1ncsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3N(S(C)(=O)=O)CCC3(C)C)=NC2=O)cc1
• InChI: InChI=1S/C33H35N3O4S.C28H33N3O4S.C27H34N4O5S2.C27H33N3O5S2.C18H27N3O4/c1-19(2)28(36-17-22-7-5-6-8-25(22)30(36)38)31(39)35-18-24(37)15-27(35)26-16-33(4,32(40)34-26)23-11-9-21(10-12-23)29-20(3)13-14-41-29;1-17-11-13-36-25(17)19-7-9-20(10-8-19)28(3)15-22(29-27(28)35)24-14-21(33)16-31(24)26(34)23-6-4-5-12-30(23)18(2)32;1-16-22(37-15-28-16)17-6-8-18(9-7-17)27(4)13-20(29-25(27)34)21-12-19(32)14-30(21)24(33)23-26(2,3)10-11-31(23)38(5,35)36;1-17-11-13-36-24(17)18-7-9-19(10-8-18)27(2)15-21(28-26(27)33)23-14-20(31)16-29(23)25(32)22-6-4-5-12-30(22)37(3,34)35;1-10(2)16(15-6-11(3)19-24-15)17(23)21-9-12(22)7-14(21)13-8-18(4,5)25-20-13/h5-14,19,24,27-28,37H,15-18H2,1-4H3;7-11,13,21,23-24,33H,4-6,12,14-16H2,1-3H3;6-9,15,19,21,23,32H,10-14H2,1-5H3;7-11,13,20,22-23,31H,4-6,12,14-16H2,1-3H3;6,10,12,14,16,22H,7-9H2,1-5H3
• InChIKey: IIKDZILTJBPFFY-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 496.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2529.25
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one?

The IUPAC name of 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one (CID 163646180) is 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one.

What is the SMILES notation for 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one?

The canonical SMILES for 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one is CC(=O)N1CCCCC1C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(-c3sccc3C)cc2)C1.Cc1cc(C(C(=O)N2CC(O)CC2C2=NOC(C)(C)C2)C(C)C)on1.Cc1ccsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C(C(C)C)N3Cc4ccccc4C3=O)=NC2=O)cc1.Cc1ccsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3CCCCN3S(C)(=O)=O)=NC2=O)cc1.Cc1ncsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3N(S(C)(=O)=O)CCC3(C)C)=NC2=O)cc1.

What is the InChIKey of 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one?

The InChIKey is IIKDZILTJBPFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4S.C28H33N3O4S.C27H34N4O5S2.C27H33N3O5S2.C18H27N3O4/c1-19(2)28(36-17-22-7-5-6-8-25(22)30(36)38)31(39)35-18-24(37)15-27(35)26-16-33(4,32(40)34-26)23-11-9-21(10-12-23)29-20(3)13-14-41-29;1-17-11-13-36-25(17)19-7-9-20(10-8-19)28(3)15-22(29-27(28)35)24-14-21(33)16-31(24)26(34)23-6-4-5-12-30(23)18(2)32;1-16-22(37-15-28-16)17-6-8-18(9-7-17)27(4)13-20(29-25(27)34)21-12-19(32)14-30(21)24(33)23-26(2,3)10-11-31(23)38(5,35)36;1-17-11-13-36-24(17)18-7-9-19(10-8-18)27(2)15-21(28-26(27)33)23-14-20(31)16-29(23)25(32)22-6-4-5-12-30(22)37(3,34)35;1-10(2)16(15-6-11(3)19-24-15)17(23)21-9-12(22)7-14(21)13-8-18(4,5)25-20-13/h5-14,19,24,27-28,37H,15-18H2,1-4H3;7-11,13,21,23-24,33H,4-6,12,14-16H2,1-3H3;6-9,15,19,21,23,32H,10-14H2,1-5H3;7-11,13,20,22-23,31H,4-6,12,14-16H2,1-3H3;6,10,12,14,16,22H,7-9H2,1-5H3.

What are the key properties of 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one?

2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one has a molecular weight of 2529.25 g/mol, XLogP of 16.85, 24 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-acetylpiperidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;2-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one is sourced from PubChem (CID 163646180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).