(5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione

C87H74N18O16 — CID 157298438

About (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 157298438) has the molecular formula C87H74N18O16 and a molecular weight of 1627.66 g/mol. Its IUPAC name is (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 157298438
• Molecular Formula: C87H74N18O16
• Molecular Weight: 1627.66 g/mol
• Exact Mass: 1626.55
• IUPAC Name: (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4ncccc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ncccc3N)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H23N3O4.C23H17N5O4.2C20H17N5O4/c1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-32-17-5-4-16-12-28(20(29)18(16)10-17)13-23(21(30)26-22(31)27-23)7-6-14-9-15-3-2-8-24-19(15)25-11-14;1-29-13-5-4-12-10-25(17(26)14(12)9-13)11-20(18(27)23-19(28)24-20)7-6-16-15(21)3-2-8-22-16;1-29-14-5-4-13-10-25(17(26)15(13)9-14)11-20(18(27)23-19(28)24-20)7-6-12-3-2-8-22-16(12)21/h4-8,11-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-5,8-11H,12-13H2,1H3,(H2,26,27,30,31);2-5,8-9H,10-11,21H2,1H3,(H2,23,24,27,28);2-5,8-9H,10-11H2,1H3,(H2,21,22)(H2,23,24,27,28)/t24-;23-;2*20-/m1111/s1
• InChIKey: BBPNUHVRZRNOBZ-YJTWBCSKSA-N
• XLogP: 4.14
• TPSA: 454.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.66
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione (CID 157298438) is (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4ncccc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ncccc3N)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is BBPNUHVRZRNOBZ-YJTWBCSKSA-N. The full InChI is InChI=1S/C24H23N3O4.C23H17N5O4.2C20H17N5O4/c1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-32-17-5-4-16-12-28(20(29)18(16)10-17)13-23(21(30)26-22(31)27-23)7-6-14-9-15-3-2-8-24-19(15)25-11-14;1-29-13-5-4-12-10-25(17(26)14(12)9-13)11-20(18(27)23-19(28)24-20)7-6-16-15(21)3-2-8-22-16;1-29-14-5-4-13-10-25(17(26)15(13)9-14)11-20(18(27)23-19(28)24-20)7-6-12-3-2-8-22-16(12)21/h4-8,11-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-5,8-11H,12-13H2,1H3,(H2,26,27,30,31);2-5,8-9H,10-11,21H2,1H3,(H2,23,24,27,28);2-5,8-9H,10-11H2,1H3,(H2,21,22)(H2,23,24,27,28)/t24-;23-;2*20-/m1111/s1.

What are the key properties of (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1627.66 g/mol, XLogP of 4.14, 13 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-amino-2-pyridinyl)ethynyl]-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-[2-(1,8-naphthyridin-3-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157298438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).