(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C102H86F7N19O21 — CID 157137041

About (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 157137041) has the molecular formula C102H86F7N19O21 and a molecular weight of 2046.91 g/mol. Its IUPAC name is (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 157137041
• Molecular Formula: C102H86F7N19O21
• Molecular Weight: 2046.91 g/mol
• Exact Mass: 2045.61
• IUPAC Name: (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N5CCC(N(C)C)CC5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C28H30FN5O5.C25H18F2N6O5.C25H21F2N5O5.C24H17F2N3O6/c1-32(2)17-8-10-33(11-9-17)22-7-6-19-18(30-22)12-21(39-19)28(13-23(35)31-27(28)37)15-34-14-16-4-5-20(38-3)25(29)24(16)26(34)36;1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11;1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12;1-34-14-5-3-11-8-29(21(31)17(11)18(14)25)9-24(22(32)27-23(33)28-24)15-7-12-6-10-2-4-13(30)16(10)19(26)20(12)35-15/h4-7,12,17H,8-11,13-15H2,1-3H3,(H,31,35,37);2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36);2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35);3,5-7H,2,4,8-9H2,1H3,(H2,27,28,32,33)/t28-;2*25-;24-/m1000/s1
• InChIKey: AJSYFVOLCLZCGT-HBNLHSJCSA-N
• XLogP: 9.62
• TPSA: 504.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.91
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 157137041) is (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N5CCC(N(C)C)CC5)ccc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is AJSYFVOLCLZCGT-HBNLHSJCSA-N. The full InChI is InChI=1S/C28H30FN5O5.C25H18F2N6O5.C25H21F2N5O5.C24H17F2N3O6/c1-32(2)17-8-10-33(11-9-17)22-7-6-19-18(30-22)12-21(39-19)28(13-23(35)31-27(28)37)15-34-14-16-4-5-20(38-3)25(29)24(16)26(34)36;1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11;1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12;1-34-14-5-3-11-8-29(21(31)17(11)18(14)25)9-24(22(32)27-23(33)28-24)15-7-12-6-10-2-4-13(30)16(10)19(26)20(12)35-15/h4-7,12,17H,8-11,13-15H2,1-3H3,(H,31,35,37);2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36);2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35);3,5-7H,2,4,8-9H2,1H3,(H2,27,28,32,33)/t28-;2*25-;24-/m1000/s1.

What are the key properties of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 2046.91 g/mol, XLogP of 9.62, 20 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3R)-3-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 157137041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).