(5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione

C100H84BrN27O24 — CID 157101996

About (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione

(5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione (PubChem CID 157101996) has the molecular formula C100H84BrN27O24 and a molecular weight of 2127.84 g/mol. Its IUPAC name is (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione
• PubChem CID: 157101996
• Molecular Formula: C100H84BrN27O24
• Molecular Weight: 2127.84 g/mol
• Exact Mass: 2125.54
• IUPAC Name: (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C(=O)Cc3c[nH]c(=O)c(C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Br)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cnccn4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4cccnc4)n3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C21H20N4O6.C20H15BrN4O5.C20H17N7O4.C20H16N4O5.C19H16N8O4/c1-11-5-12(8-22-17(11)27)6-16(26)21(19(29)23-20(30)24-21)10-25-9-13-3-4-14(31-2)7-15(13)18(25)28;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-16(21)22-13;1-31-14-5-4-12-10-26(17(28)15(12)7-14)11-20(18(29)23-19(30)24-20)16-9-22-27(25-16)13-3-2-6-21-8-13;1-28-12-5-4-11-9-24(17(25)13(11)7-12)10-20(18(26)22-19(27)23-20)16-8-14-15(29-16)3-2-6-21-14;1-31-12-3-2-11-8-26(16(28)13(11)6-12)10-19(17(29)22-18(30)23-19)14-9-27(25-24-14)15-7-20-4-5-21-15/h3-5,7-8H,6,9-10H2,1-2H3,(H,22,27)(H2,23,24,29,30);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-9H,10-11H2,1H3,(H2,23,24,29,30);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-7,9H,8,10H2,1H3,(H2,22,23,29,30)/t21-;3*20-;19-/m00000/s1
• InChIKey: AFWHPUKPYZFMLY-VVKAPVEPSA-N
• XLogP: 3.97
• TPSA: 640.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.84
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione (CID 157101996) is (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C(=O)Cc3c[nH]c(=O)c(C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Br)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn(-c4cnccn4)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(-c4cccnc4)n3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

The InChIKey is AFWHPUKPYZFMLY-VVKAPVEPSA-N. The full InChI is InChI=1S/C21H20N4O6.C20H15BrN4O5.C20H17N7O4.C20H16N4O5.C19H16N8O4/c1-11-5-12(8-22-17(11)27)6-16(26)21(19(29)23-20(30)24-21)10-25-9-13-3-4-14(31-2)7-15(13)18(25)28;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-16(21)22-13;1-31-14-5-4-12-10-26(17(28)15(12)7-14)11-20(18(29)23-19(30)24-20)16-9-22-27(25-16)13-3-2-6-21-8-13;1-28-12-5-4-11-9-24(17(25)13(11)7-12)10-20(18(26)22-19(27)23-20)16-8-14-15(29-16)3-2-6-21-14;1-31-12-3-2-11-8-26(16(28)13(11)6-12)10-19(17(29)22-18(30)23-19)14-9-27(25-24-14)15-7-20-4-5-21-15/h3-5,7-8H,6,9-10H2,1-2H3,(H,22,27)(H2,23,24,29,30);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-9H,10-11H2,1H3,(H2,23,24,29,30);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-7,9H,8,10H2,1H3,(H2,22,23,29,30)/t21-;3*20-;19-/m00000/s1.

What are the key properties of (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione?

(5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 2127.84 g/mol, XLogP of 3.97, 24 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(5-bromofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-yltriazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 157101996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).