(5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione

C116H108N20O16 — CID 159816898

About (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 159816898) has the molecular formula C116H108N20O16 and a molecular weight of 2038.26 g/mol. Its IUPAC name is (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 159816898
• Molecular Formula: C116H108N20O16
• Molecular Weight: 2038.26 g/mol
• Exact Mass: 2036.83
• IUPAC Name: (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5nn(C(C)C)cc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5nn(C)cc5c4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C30H29N5O4.2C28H25N5O4/c1-17(2)35-26-18(3)11-21(12-22(26)14-31-35)19-5-8-23(9-6-19)30(28(37)32-29(38)33-30)16-34-15-20-7-10-24(39-4)13-25(20)27(34)36;1-17(2)35-15-22-12-21(11-18(3)26(22)33-35)19-5-8-23(9-6-19)30(28(37)31-29(38)32-30)16-34-14-20-7-10-24(39-4)13-25(20)27(34)36;1-16-10-19(11-20-13-32(2)31-24(16)20)17-4-7-21(8-5-17)28(26(35)29-27(36)30-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34;1-16-10-19(11-20-13-29-32(2)24(16)20)17-4-7-21(8-5-17)28(26(35)30-27(36)31-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34/h5-14,17H,15-16H2,1-4H3,(H2,32,33,37,38);5-13,15,17H,14,16H2,1-4H3,(H2,31,32,37,38);4-13H,14-15H2,1-3H3,(H2,29,30,35,36);4-13H,14-15H2,1-3H3,(H2,30,31,35,36)/t2*30-;2*28-/m0000/s1
• InChIKey: NLSMHPNZKCWBCH-JHUNLNNNSA-N
• XLogP: 15.08
• TPSA: 422.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.26
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 159816898) is (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5nn(C(C)C)cc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5nn(C)cc5c4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is NLSMHPNZKCWBCH-JHUNLNNNSA-N. The full InChI is InChI=1S/2C30H29N5O4.2C28H25N5O4/c1-17(2)35-26-18(3)11-21(12-22(26)14-31-35)19-5-8-23(9-6-19)30(28(37)32-29(38)33-30)16-34-15-20-7-10-24(39-4)13-25(20)27(34)36;1-17(2)35-15-22-12-21(11-18(3)26(22)33-35)19-5-8-23(9-6-19)30(28(37)31-29(38)32-30)16-34-14-20-7-10-24(39-4)13-25(20)27(34)36;1-16-10-19(11-20-13-32(2)31-24(16)20)17-4-7-21(8-5-17)28(26(35)29-27(36)30-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34;1-16-10-19(11-20-13-29-32(2)24(16)20)17-4-7-21(8-5-17)28(26(35)30-27(36)31-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34/h5-14,17H,15-16H2,1-4H3,(H2,32,33,37,38);5-13,15,17H,14,16H2,1-4H3,(H2,31,32,37,38);4-13H,14-15H2,1-3H3,(H2,29,30,35,36);4-13H,14-15H2,1-3H3,(H2,30,31,35,36)/t2*30-;2*28-/m0000/s1.

What are the key properties of (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 2038.26 g/mol, XLogP of 15.08, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(2,7-dimethylindazol-5-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-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159816898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).