(5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

C104H80F4N22O25 — CID 159459258

About (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 159459258) has the molecular formula C104H80F4N22O25 and a molecular weight of 2113.90 g/mol. Its IUPAC name is (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 159459258
• Molecular Formula: C104H80F4N22O25
• Molecular Weight: 2113.90 g/mol
• Exact Mass: 2112.56
• IUPAC Name: (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5nn[nH]n5)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(N)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccc(F)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C21H15F2N3O5.2C21H16FN3O5.C21H16N8O5.C20H17N5O5/c1-30-12-3-2-10-8-26(18(27)13(10)6-12)9-21(19(28)24-20(29)25-21)17-5-11-4-14(22)15(23)7-16(11)31-17;1-29-14-4-2-11-9-25(18(26)15(11)8-14)10-21(19(27)23-20(28)24-21)17-7-12-6-13(22)3-5-16(12)30-17;1-29-14-5-3-12-9-25(18(26)15(12)8-14)10-21(19(27)23-20(28)24-21)17-6-11-2-4-13(22)7-16(11)30-17;1-33-13-3-2-10-8-29(18(30)14(10)6-13)9-21(19(31)23-20(32)24-21)15-5-11-4-12(7-22-17(11)34-15)16-25-27-28-26-16;1-29-13-3-2-10-8-25(17(26)14(10)6-13)9-20(18(27)23-19(28)24-20)15-5-11-4-12(21)7-22-16(11)30-15/h2-7H,8-9H2,1H3,(H2,24,25,28,29);2*2-8H,9-10H2,1H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,31,32)(H,25,26,27,28);2-7H,8-9,21H2,1H3,(H2,23,24,27,28)/t4*21-;20-/m00000/s1
• InChIKey: LUJJUKZCOSFWTG-QCDCKPNQSA-N
• XLogP: 8.77
• TPSA: 610.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2113.90
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 159459258) is (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5nn[nH]n5)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(N)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccc(F)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is LUJJUKZCOSFWTG-QCDCKPNQSA-N. The full InChI is InChI=1S/C21H15F2N3O5.2C21H16FN3O5.C21H16N8O5.C20H17N5O5/c1-30-12-3-2-10-8-26(18(27)13(10)6-12)9-21(19(28)24-20(29)25-21)17-5-11-4-14(22)15(23)7-16(11)31-17;1-29-14-4-2-11-9-25(18(26)15(11)8-14)10-21(19(27)23-20(28)24-21)17-7-12-6-13(22)3-5-16(12)30-17;1-29-14-5-3-12-9-25(18(26)15(12)8-14)10-21(19(27)23-20(28)24-21)17-6-11-2-4-13(22)7-16(11)30-17;1-33-13-3-2-10-8-29(18(30)14(10)6-13)9-21(19(31)23-20(32)24-21)15-5-11-4-12(7-22-17(11)34-15)16-25-27-28-26-16;1-29-13-3-2-10-8-25(17(26)14(10)6-13)9-20(18(27)23-19(28)24-20)15-5-11-4-12(21)7-22-16(11)30-15/h2-7H,8-9H2,1H3,(H2,24,25,28,29);2*2-8H,9-10H2,1H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,31,32)(H,25,26,27,28);2-7H,8-9,21H2,1H3,(H2,23,24,27,28)/t4*21-;20-/m00000/s1.

What are the key properties of (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 2113.90 g/mol, XLogP of 8.77, 21 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(5-aminofuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluoro-1-benzofuran-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-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 159459258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).