(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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

C109H99N21O16S — CID 158454767

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 158454767) has the molecular formula C109H99N21O16S and a molecular weight of 1991.19 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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: 158454767
• Molecular Formula: C109H99N21O16S
• Molecular Weight: 1991.19 g/mol
• Exact Mass: 1989.73
• IUPAC Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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: CC#CCOc1ccc2c(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(-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(-c4ncnc5c4ncn5CC4CC4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H25N7O4.C28H27N5O4.C28H22N4O4S.C25H25N5O4/c1-39-20-9-6-18-12-34(25(36)21(18)10-20)13-28(26(37)32-27(38)33-28)19-7-4-17(5-8-19)22-23-24(30-14-29-22)35(15-31-23)11-16-2-3-16;1-5-6-13-37-22-12-9-20-15-33(25(34)23(20)14-22)16-28(26(35)29-27(36)30-28)21-10-7-19(8-11-21)24-17(2)31-32(4)18(24)3;1-36-20-10-7-18-15-32(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;1-14-21(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/h4-10,14-16H,2-3,11-13H2,1H3,(H2,32,33,37,38);7-12,14H,13,15-16H2,1-4H3,(H2,29,30,35,36);2-14H,15-16H2,1H3,(H2,30,31,34,35);5-11H,12-13H2,1-4H3,(H2,26,27,32,33)/t3*28-;25-/m0000/s1
• InChIKey: HEKZATDODZXUMD-SWDSZJKRSA-N
• XLogP: 11.98
• TPSA: 443.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.19
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 158454767) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 CC#CCOc1ccc2c(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(-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(-c4ncnc5c4ncn5CC4CC4)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-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 HEKZATDODZXUMD-SWDSZJKRSA-N. The full InChI is InChI=1S/C28H25N7O4.C28H27N5O4.C28H22N4O4S.C25H25N5O4/c1-39-20-9-6-18-12-34(25(36)21(18)10-20)13-28(26(37)32-27(38)33-28)19-7-4-17(5-8-19)22-23-24(30-14-29-22)35(15-31-23)11-16-2-3-16;1-5-6-13-37-22-12-9-20-15-33(25(34)23(20)14-22)16-28(26(35)29-27(36)30-28)21-10-7-19(8-11-21)24-17(2)31-32(4)18(24)3;1-36-20-10-7-18-15-32(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;1-14-21(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/h4-10,14-16H,2-3,11-13H2,1H3,(H2,32,33,37,38);7-12,14H,13,15-16H2,1-4H3,(H2,29,30,35,36);2-14H,15-16H2,1H3,(H2,30,31,34,35);5-11H,12-13H2,1-4H3,(H2,26,27,32,33)/t3*28-;25-/m0000/s1.

What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 1991.19 g/mol, XLogP of 11.98, 24 rotatable bonds, 8 hydrogen bond donors, and 26 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-(1,3,5-trimethylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-[9-(cyclopropylmethyl)purin-6-yl]phenyl]-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-[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 158454767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).