(5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione

C89H74N20O21 — CID 158297536

About (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 158297536) has the molecular formula C89H74N20O21 and a molecular weight of 1759.69 g/mol. Its IUPAC name is (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158297536
• Molecular Formula: C89H74N20O21
• Molecular Weight: 1759.69 g/mol
• Exact Mass: 1758.53
• IUPAC Name: (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: CON=C(C)c1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(=O)[nH]c3N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4c(c3)CCC(=O)N4)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H22N4O5.C23H17N5O6.C23H19N5O5.C19H16N6O5/c1-15(27-33-3)17-6-4-16(5-7-17)10-11-24(22(30)25-23(31)26-24)14-28-13-18-8-9-19(32-2)12-20(18)21(28)29;1-34-14-4-3-13-10-28(19(30)15(13)9-14)11-23(20(31)26-22(33)27-23)7-6-12-2-5-17-16(8-12)18(29)25-21(32)24-17;1-33-16-4-2-15-11-28(20(30)17(15)9-16)12-23(21(31)26-22(32)27-23)7-6-13-8-14-3-5-18(29)25-19(14)24-10-13;1-30-12-3-2-11-8-25(15(26)13(11)6-12)9-19(16(27)23-18(29)24-19)5-4-10-7-21-17(28)22-14(10)20/h4-9,12H,13-14H2,1-3H3,(H2,25,26,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,29,32)(H2,26,27,31,33);2,4,8-10H,3,5,11-12H2,1H3,(H,24,25,29)(H2,26,27,31,32);2-3,6-7H,8-9H2,1H3,(H3,20,21,22,28)(H2,23,24,27,29)/t24-;2*23-;19-/m1111/s1
• InChIKey: GMCAVIGYJOOXDX-USGNSPHPSA-N
• XLogP: 0.97
• TPSA: 552.03 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1759.69
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione (CID 158297536) is (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione is CON=C(C)c1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(=O)[nH]c3N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4c(c3)CCC(=O)N4)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is GMCAVIGYJOOXDX-USGNSPHPSA-N. The full InChI is InChI=1S/C24H22N4O5.C23H17N5O6.C23H19N5O5.C19H16N6O5/c1-15(27-33-3)17-6-4-16(5-7-17)10-11-24(22(30)25-23(31)26-24)14-28-13-18-8-9-19(32-2)12-20(18)21(28)29;1-34-14-4-3-13-10-28(19(30)15(13)9-14)11-23(20(31)26-22(33)27-23)7-6-12-2-5-17-16(8-12)18(29)25-21(32)24-17;1-33-16-4-2-15-11-28(20(30)17(15)9-16)12-23(21(31)26-22(32)27-23)7-6-13-8-14-3-5-18(29)25-19(14)24-10-13;1-30-12-3-2-11-8-25(15(26)13(11)6-12)9-19(16(27)23-18(29)24-19)5-4-10-7-21-17(28)22-14(10)20/h4-9,12H,13-14H2,1-3H3,(H2,25,26,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,29,32)(H2,26,27,31,33);2,4,8-10H,3,5,11-12H2,1H3,(H,24,25,29)(H2,26,27,31,32);2-3,6-7H,8-9H2,1H3,(H3,20,21,22,28)(H2,23,24,27,29)/t24-;2*23-;19-/m1111/s1.

What are the key properties of (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1759.69 g/mol, XLogP of 0.97, 14 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158297536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).