(5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione

C100H109N25O22 — CID 158029509

About (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione

(5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 158029509) has the molecular formula C100H109N25O22 and a molecular weight of 2013.12 g/mol. Its IUPAC name is (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
• PubChem CID: 158029509
• Molecular Formula: C100H109N25O22
• Molecular Weight: 2013.12 g/mol
• Exact Mass: 2011.82
• IUPAC Name: (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C(C)(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C4CCC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(CC(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@@H]4CCOC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@H]4CCOC4)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C20H21N5O5.C20H21N5O4.2C20H23N5O4/c2*1-29-15-3-2-12-8-24(17(26)16(12)6-15)11-20(18(27)22-19(28)23-20)13-7-21-25(9-13)14-4-5-30-10-14;1-29-15-6-5-12-9-24(17(26)16(12)7-15)11-20(18(27)22-19(28)23-20)13-8-21-25(10-13)14-3-2-4-14;1-19(2,3)25-10-13(8-21-25)20(17(27)22-18(28)23-20)11-24-9-12-5-6-14(29-4)7-15(12)16(24)26;1-12(2)8-25-10-14(7-21-25)20(18(27)22-19(28)23-20)11-24-9-13-4-5-15(29-3)6-16(13)17(24)26/h2*2-3,6-7,9,14H,4-5,8,10-11H2,1H3,(H2,22,23,27,28);5-8,10,14H,2-4,9,11H2,1H3,(H2,22,23,27,28);5-8,10H,9,11H2,1-4H3,(H2,22,23,27,28);4-7,10,12H,8-9,11H2,1-3H3,(H2,22,23,27,28)/t14-,20+;14-,20-;3*20-/m10000/s1
• InChIKey: FGZWXHVZSTUYIH-GQXIYOGNSA-N
• XLogP: 4.97
• TPSA: 546.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.12
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 158029509) is (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C(C)(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C4CCC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(CC(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@@H]4CCOC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@H]4CCOC4)c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?

The InChIKey is FGZWXHVZSTUYIH-GQXIYOGNSA-N. The full InChI is InChI=1S/2C20H21N5O5.C20H21N5O4.2C20H23N5O4/c2*1-29-15-3-2-12-8-24(17(26)16(12)6-15)11-20(18(27)22-19(28)23-20)13-7-21-25(9-13)14-4-5-30-10-14;1-29-15-6-5-12-9-24(17(26)16(12)7-15)11-20(18(27)22-19(28)23-20)13-8-21-25(10-13)14-3-2-4-14;1-19(2,3)25-10-13(8-21-25)20(17(27)22-18(28)23-20)11-24-9-12-5-6-14(29-4)7-15(12)16(24)26;1-12(2)8-25-10-14(7-21-25)20(18(27)22-19(28)23-20)11-24-9-13-4-5-15(29-3)6-16(13)17(24)26/h2*2-3,6-7,9,14H,4-5,8,10-11H2,1H3,(H2,22,23,27,28);5-8,10,14H,2-4,9,11H2,1H3,(H2,22,23,27,28);5-8,10H,9,11H2,1-4H3,(H2,22,23,27,28);4-7,10,12H,8-9,11H2,1-3H3,(H2,22,23,27,28)/t14-,20+;14-,20-;3*20-/m10000/s1.

What are the key properties of (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?

(5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 2013.12 g/mol, XLogP of 4.97, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(1-tert-butylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(1-cyclobutylpyrazol-4-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 158029509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).