(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione

C102H90FN21O15S — CID 160733336

About (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 160733336) has the molecular formula C102H90FN21O15S and a molecular weight of 1901.04 g/mol. Its IUPAC name is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 160733336
• Molecular Formula: C102H90FN21O15S
• Molecular Weight: 1901.04 g/mol
• Exact Mass: 1899.66
• IUPAC Name: (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C)nn(C)c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5ccccn5)s4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncnc5c4ncn5C)cc3)NC(=O)NC1=O)C2.Cc1nn(C)c(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1
• InChI: InChI=1S/C28H22N4O4S.C25H21N7O4.C25H25N5O4.C24H22FN5O3/c1-36-20-10-7-18-15-32(25(33)21(18)14-20)16-28(26(34)30-27(35)31-28)19-8-5-17(6-9-19)23-11-12-24(37-23)22-4-2-3-13-29-22;1-31-13-28-20-19(26-12-27-21(20)31)14-3-6-16(7-4-14)25(23(34)29-24(35)30-25)11-32-10-15-5-8-17(36-2)9-18(15)22(32)33;1-14-21(15(2)29(3)28-14)16-5-8-18(9-6-16)25(23(32)26-24(33)27-25)13-30-12-17-7-10-19(34-4)11-20(17)22(30)31;1-13-20(14(2)29(3)28-13)15-4-7-17(8-5-15)24(22(32)26-23(33)27-24)12-30-11-16-6-9-18(25)10-19(16)21(30)31/h2-14H,15-16H2,1H3,(H2,30,31,34,35);3-9,12-13H,10-11H2,1-2H3,(H2,29,30,34,35);5-11H,12-13H2,1-4H3,(H2,26,27,32,33);4-10H,11-12H2,1-3H3,(H2,26,27,32,33)/t28-;2*25-;24-/m0000/s1
• InChIKey: RUQASUKEYWPHNY-FBQHIDHMSA-N
• XLogP: 10.84
• TPSA: 433.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.04
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 160733336) is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C)nn(C)c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5ccccn5)s4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncnc5c4ncn5C)cc3)NC(=O)NC1=O)C2.Cc1nn(C)c(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.

What is the InChIKey of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is RUQASUKEYWPHNY-FBQHIDHMSA-N. The full InChI is InChI=1S/C28H22N4O4S.C25H21N7O4.C25H25N5O4.C24H22FN5O3/c1-36-20-10-7-18-15-32(25(33)21(18)14-20)16-28(26(34)30-27(35)31-28)19-8-5-17(6-9-19)23-11-12-24(37-23)22-4-2-3-13-29-22;1-31-13-28-20-19(26-12-27-21(20)31)14-3-6-16(7-4-14)25(23(34)29-24(35)30-25)11-32-10-15-5-8-17(36-2)9-18(15)22(32)33;1-14-21(15(2)29(3)28-14)16-5-8-18(9-6-16)25(23(32)26-24(33)27-25)13-30-12-17-7-10-19(34-4)11-20(17)22(30)31;1-13-20(14(2)29(3)28-13)15-4-7-17(8-5-15)24(22(32)26-23(33)27-24)12-30-11-16-6-9-18(25)10-19(16)21(30)31/h2-14H,15-16H2,1H3,(H2,30,31,34,35);3-9,12-13H,10-11H2,1-2H3,(H2,29,30,34,35);5-11H,12-13H2,1-4H3,(H2,26,27,32,33);4-10H,11-12H2,1-3H3,(H2,26,27,32,33)/t28-;2*25-;24-/m0000/s1.

What are the key properties of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1901.04 g/mol, XLogP of 10.84, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).