(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione

C108H100N28O24S2 — CID 159766207

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 159766207) has the molecular formula C108H100N28O24S2 and a molecular weight of 2238.29 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
• PubChem CID: 159766207
• Molecular Formula: C108H100N28O24S2
• Molecular Weight: 2238.29 g/mol
• Exact Mass: 2236.69
• IUPAC Name: (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3cnc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3nccs3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3nccs3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C22H18N6O4.C19H21N5O4.C18H16N4O4.C17H17N5O4.2C16H14N4O4S/c1-32-16-5-4-14-11-28(19(29)17(14)7-16)12-22(20(30)26-21(31)27-22)15-9-24-18(25-10-15)13-3-2-6-23-8-13;1-11(2)24-9-13(7-20-24)19(17(26)21-18(27)22-19)10-23-8-12-4-5-14(28-3)6-15(12)16(23)25;1-26-12-6-5-11-9-22(15(23)13(11)8-12)10-18(14-4-2-3-7-19-14)16(24)20-17(25)21-18;1-21-8-11(6-18-21)17(15(24)19-16(25)20-17)9-22-7-10-3-4-12(26-2)5-13(10)14(22)23;2*1-24-10-3-2-9-7-20(12(21)11(9)6-10)8-16(14-17-4-5-25-14)13(22)18-15(23)19-16/h2-10H,11-12H2,1H3,(H2,26,27,30,31);4-7,9,11H,8,10H2,1-3H3,(H2,21,22,26,27);2-8H,9-10H2,1H3,(H2,20,21,24,25);3-6,8H,7,9H2,1-2H3,(H2,19,20,24,25);2*2-6H,7-8H2,1H3,(H2,18,19,22,23)/t;19-;;17-;2*16-/m.0.010/s1
• InChIKey: NFNKGVSWDRIAOL-WRSJOVJISA-N
• XLogP: 4.99
• TPSA: 639.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.29
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione (CID 159766207) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3cnc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3nccs3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3nccs3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?

The InChIKey is NFNKGVSWDRIAOL-WRSJOVJISA-N. The full InChI is InChI=1S/C22H18N6O4.C19H21N5O4.C18H16N4O4.C17H17N5O4.2C16H14N4O4S/c1-32-16-5-4-14-11-28(19(29)17(14)7-16)12-22(20(30)26-21(31)27-22)15-9-24-18(25-10-15)13-3-2-6-23-8-13;1-11(2)24-9-13(7-20-24)19(17(26)21-18(27)22-19)10-23-8-12-4-5-14(28-3)6-15(12)16(23)25;1-26-12-6-5-11-9-22(15(23)13(11)8-12)10-18(14-4-2-3-7-19-14)16(24)20-17(25)21-18;1-21-8-11(6-18-21)17(15(24)19-16(25)20-17)9-22-7-10-3-4-12(26-2)5-13(10)14(22)23;2*1-24-10-3-2-9-7-20(12(21)11(9)6-10)8-16(14-17-4-5-25-14)13(22)18-15(23)19-16/h2-10H,11-12H2,1H3,(H2,26,27,30,31);4-7,9,11H,8,10H2,1-3H3,(H2,21,22,26,27);2-8H,9-10H2,1H3,(H2,20,21,24,25);3-6,8H,7,9H2,1-2H3,(H2,19,20,24,25);2*2-6H,7-8H2,1H3,(H2,18,19,22,23)/t;19-;;17-;2*16-/m.0.010/s1.

What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 2238.29 g/mol, XLogP of 4.99, 26 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 159766207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).