(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione

C86H64F8N12O20 — CID 160603260

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 160603260) has the molecular formula C86H64F8N12O20 and a molecular weight of 1737.51 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 160603260
• Molecular Formula: C86H64F8N12O20
• Molecular Weight: 1737.51 g/mol
• Exact Mass: 1736.42
• IUPAC Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(F)(F)F)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C(F)(F)F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cccnc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ccncc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/2C22H16F3N3O5.2C21H16FN3O5/c1-32-13-3-2-11-9-28(19(30)14(11)5-13)10-21(7-18(29)27-20(21)31)17-4-12-8-26-16(22(23,24)25)6-15(12)33-17;1-32-12-3-2-11-9-28(19(30)13(11)6-12)10-21(8-17(29)27-20(21)31)16-7-14-15(33-16)4-5-26-18(14)22(23,24)25;1-29-13-3-2-12-9-25(19(27)17(12)18(13)22)10-21(7-16(26)24-20(21)28)15-6-11-4-5-23-8-14(11)30-15;1-29-13-5-4-12-9-25(19(27)16(12)17(13)22)10-21(8-15(26)24-20(21)28)14-7-11-3-2-6-23-18(11)30-14/h2-6,8H,7,9-10H2,1H3,(H,27,29,31);2-7H,8-10H2,1H3,(H,27,29,31);2-6,8H,7,9-10H2,1H3,(H,24,26,28);2-7H,8-10H2,1H3,(H,24,26,28)/t4*21-/m1111/s1
• InChIKey: RENYTSRWGZAAMM-OVMGASAXSA-N
• XLogP: 9.42
• TPSA: 406.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.51
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione (CID 160603260) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(F)(F)F)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C(F)(F)F)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cccnc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ccncc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The InChIKey is RENYTSRWGZAAMM-OVMGASAXSA-N. The full InChI is InChI=1S/2C22H16F3N3O5.2C21H16FN3O5/c1-32-13-3-2-11-9-28(19(30)14(11)5-13)10-21(7-18(29)27-20(21)31)17-4-12-8-26-16(22(23,24)25)6-15(12)33-17;1-32-12-3-2-11-9-28(19(30)13(11)6-12)10-21(8-17(29)27-20(21)31)16-7-14-15(33-16)4-5-26-18(14)22(23,24)25;1-29-13-3-2-12-9-25(19(27)17(12)18(13)22)10-21(7-16(26)24-20(21)28)15-6-11-4-5-23-8-14(11)30-15;1-29-13-5-4-12-9-25(19(27)16(12)17(13)22)10-21(8-15(26)24-20(21)28)14-7-11-3-2-6-23-18(11)30-14/h2-6,8H,7,9-10H2,1H3,(H,27,29,31);2-7H,8-10H2,1H3,(H,27,29,31);2-6,8H,7,9-10H2,1H3,(H,24,26,28);2-7H,8-10H2,1H3,(H,24,26,28)/t4*21-/m1111/s1.

What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione?

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 1737.51 g/mol, XLogP of 9.42, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[2,3-c]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[4-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(trifluoromethyl)furo[3,2-c]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 160603260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).