(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

C105H102N20O16 — CID 161123701

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 161123701) has the molecular formula C105H102N20O16 and a molecular weight of 1900.09 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 161123701
• Molecular Formula: C105H102N20O16
• Molecular Weight: 1900.09 g/mol
• Exact Mass: 1898.78
• IUPAC Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(C)c4)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC(C)C)c4)cc3)NC(=O)NC1=O)C2.CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC(C)C)c4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C29H29N5O4.C26H27N5O4.C26H23N5O4.C24H23N5O4/c1-4-5-12-38-24-11-8-21-16-33(26(35)25(21)13-24)18-29(27(36)31-28(37)32-29)23-9-6-20(7-10-23)22-14-30-34(17-22)15-19(2)3;1-16(2)12-31-14-19(11-27-31)17-4-7-20(8-5-17)26(24(33)28-25(34)29-26)15-30-13-18-6-9-21(35-3)10-22(18)23(30)32;1-3-4-11-35-21-10-7-18-15-31(23(32)22(18)12-21)16-26(24(33)28-25(34)29-26)20-8-5-17(6-9-20)19-13-27-30(2)14-19;1-3-33-19-9-6-16-13-29(21(30)20(16)10-19)14-24(22(31)26-23(32)27-24)18-7-4-15(5-8-18)17-11-25-28(2)12-17/h6-11,13-14,17,19H,12,15-16,18H2,1-3H3,(H2,31,32,36,37);4-11,14,16H,12-13,15H2,1-3H3,(H2,28,29,33,34);5-10,12-14H,11,15-16H2,1-2H3,(H2,28,29,33,34);4-12H,3,13-14H2,1-2H3,(H2,26,27,31,32)/t29-;2*26-;24-/m0000/s1
• InChIKey: ULGXRCWEFAMRGT-DTUPVFROSA-N
• XLogP: 10.56
• TPSA: 422.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.09
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (CID 161123701) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(C)c4)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC(C)C)c4)cc3)NC(=O)NC1=O)C2.CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC(C)C)c4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The InChIKey is ULGXRCWEFAMRGT-DTUPVFROSA-N. The full InChI is InChI=1S/C29H29N5O4.C26H27N5O4.C26H23N5O4.C24H23N5O4/c1-4-5-12-38-24-11-8-21-16-33(26(35)25(21)13-24)18-29(27(36)31-28(37)32-29)23-9-6-20(7-10-23)22-14-30-34(17-22)15-19(2)3;1-16(2)12-31-14-19(11-27-31)17-4-7-20(8-5-17)26(24(33)28-25(34)29-26)15-30-13-18-6-9-21(35-3)10-22(18)23(30)32;1-3-4-11-35-21-10-7-18-15-31(23(32)22(18)12-21)16-26(24(33)28-25(34)29-26)20-8-5-17(6-9-20)19-13-27-30(2)14-19;1-3-33-19-9-6-16-13-29(21(30)20(16)10-19)14-24(22(31)26-23(32)27-24)18-7-4-15(5-8-18)17-11-25-28(2)12-17/h6-11,13-14,17,19H,12,15-16,18H2,1-3H3,(H2,31,32,36,37);4-11,14,16H,12-13,15H2,1-3H3,(H2,28,29,33,34);5-10,12-14H,11,15-16H2,1-2H3,(H2,28,29,33,34);4-12H,3,13-14H2,1-2H3,(H2,26,27,31,32)/t29-;2*26-;24-/m0000/s1.

What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1900.09 g/mol, XLogP of 10.56, 27 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 161123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).