(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione

C93H70ClF5N20O14 — CID 160555789

About (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 160555789) has the molecular formula C93H70ClF5N20O14 and a molecular weight of 1822.15 g/mol. Its IUPAC name is (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 160555789
• Molecular Formula: C93H70ClF5N20O14
• Molecular Weight: 1822.15 g/mol
• Exact Mass: 1820.50
• IUPAC Name: (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5ccn[nH]5)cc4)cc3)NC(=O)NC1=O)C2.Cn1cnc2c(-c3ccc([C@]4(CN5Cc6ccc(OC(F)F)cc6C5=O)NC(=O)NC4=O)cc3)ncnc21.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(F)cc2F)N1.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(-c3cnccn3)cc2)N1
• InChI: InChI=1S/C28H23N5O4.C25H19F2N7O4.C22H16ClN5O3.C18H12F3N3O3/c1-37-22-11-8-20-15-33(25(34)23(20)14-22)16-28(26(35)30-27(36)31-28)21-9-6-18(7-10-21)17-2-4-19(5-3-17)24-12-13-29-32-24;1-33-12-30-19-18(28-11-29-20(19)33)13-2-5-15(6-3-13)25(22(36)31-24(37)32-25)10-34-9-14-4-7-16(38-23(26)27)8-17(14)21(34)35;23-16-6-3-14-11-28(19(29)17(14)9-16)12-22(20(30)26-21(31)27-22)15-4-1-13(2-5-15)18-10-24-7-8-25-18;19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h2-14H,15-16H2,1H3,(H,29,32)(H2,30,31,35,36);2-8,11-12,23H,9-10H2,1H3,(H2,31,32,36,37);1-10H,11-12H2,(H2,26,27,30,31);1-6H,7-8H2,(H2,22,23,26,27)/t28-;25-;22-;/m000./s1
• InChIKey: QYQXAENFUZSBHG-YGFYHLTISA-N
• XLogP: 10.05
• TPSA: 430.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.15
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione (CID 160555789) is (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5ccn[nH]5)cc4)cc3)NC(=O)NC1=O)C2.Cn1cnc2c(-c3ccc([C@]4(CN5Cc6ccc(OC(F)F)cc6C5=O)NC(=O)NC4=O)cc3)ncnc21.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(F)cc2F)N1.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(-c3cnccn3)cc2)N1.

What is the InChIKey of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is QYQXAENFUZSBHG-YGFYHLTISA-N. The full InChI is InChI=1S/C28H23N5O4.C25H19F2N7O4.C22H16ClN5O3.C18H12F3N3O3/c1-37-22-11-8-20-15-33(25(34)23(20)14-22)16-28(26(35)30-27(36)31-28)21-9-6-18(7-10-21)17-2-4-19(5-3-17)24-12-13-29-32-24;1-33-12-30-19-18(28-11-29-20(19)33)13-2-5-15(6-3-13)25(22(36)31-24(37)32-25)10-34-9-14-4-7-16(38-23(26)27)8-17(14)21(34)35;23-16-6-3-14-11-28(19(29)17(14)9-16)12-22(20(30)26-21(31)27-22)15-4-1-13(2-5-15)18-10-24-7-8-25-18;19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h2-14H,15-16H2,1H3,(H,29,32)(H2,30,31,35,36);2-8,11-12,23H,9-10H2,1H3,(H2,31,32,36,37);1-10H,11-12H2,(H2,26,27,30,31);1-6H,7-8H2,(H2,22,23,26,27)/t28-;25-;22-;/m000./s1.

What are the key properties of (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1822.15 g/mol, XLogP of 10.05, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;5-(2,4-difluorophenyl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160555789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).