(5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione

C106H90N18O16 — CID 160761230

About (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 160761230) has the molecular formula C106H90N18O16 and a molecular weight of 1872.00 g/mol. Its IUPAC name is (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 160761230
• Molecular Formula: C106H90N18O16
• Molecular Weight: 1872.00 g/mol
• Exact Mass: 1870.68
• IUPAC Name: (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)ccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc(N)cc5ccccc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4nc(N)cc5ccccc45)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C28H23N5O4.2C25H22N4O4/c2*1-37-20-11-8-18-14-33(25(34)22(18)13-20)15-28(26(35)31-27(36)32-28)19-9-6-16(7-10-19)24-21-5-3-2-4-17(21)12-23(29)30-24;1-15-9-10-26-21(11-15)16-3-6-18(7-4-16)25(23(31)27-24(32)28-25)14-29-13-17-5-8-19(33-2)12-20(17)22(29)30;1-15-4-3-5-21(26-15)16-6-9-18(10-7-16)25(23(31)27-24(32)28-25)14-29-13-17-8-11-19(33-2)12-20(17)22(29)30/h2*2-13H,14-15H2,1H3,(H2,29,30)(H2,31,32,35,36);2*3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t2*28-;2*25-/m1000/s1
• InChIKey: RYCCWMOIMYPWPM-VAPKZDCTSA-N
• XLogP: 11.88
• TPSA: 454.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.00
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 160761230) is (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)ccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc(N)cc5ccccc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4nc(N)cc5ccccc45)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione?

The InChIKey is RYCCWMOIMYPWPM-VAPKZDCTSA-N. The full InChI is InChI=1S/2C28H23N5O4.2C25H22N4O4/c2*1-37-20-11-8-18-14-33(25(34)22(18)13-20)15-28(26(35)31-27(36)32-28)19-9-6-16(7-10-19)24-21-5-3-2-4-17(21)12-23(29)30-24;1-15-9-10-26-21(11-15)16-3-6-18(7-4-16)25(23(31)27-24(32)28-25)14-29-13-17-5-8-19(33-2)12-20(17)22(29)30;1-15-4-3-5-21(26-15)16-6-9-18(10-7-16)25(23(31)27-24(32)28-25)14-29-13-17-8-11-19(33-2)12-20(17)22(29)30/h2*2-13H,14-15H2,1H3,(H2,29,30)(H2,31,32,35,36);2*3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t2*28-;2*25-/m1000/s1.

What are the key properties of (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1872.00 g/mol, XLogP of 11.88, 20 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(3-aminoisoquinolin-1-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[4-(3-aminoisoquinolin-1-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-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160761230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).