(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione

C92H77F2N17O21 — CID 158763980

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 158763980) has the molecular formula C92H77F2N17O21 and a molecular weight of 1794.72 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 158763980
• Molecular Formula: C92H77F2N17O21
• Molecular Weight: 1794.72 g/mol
• Exact Mass: 1793.54
• IUPAC Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5cnn(C)c5)ncc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(N5CCCC5=O)ncc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(C)nc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C25H21N5O5.C25H22N4O6.2C21H17FN4O5/c1-29-11-16(9-27-29)19-5-15-6-21(35-20(15)10-26-19)25(8-22(31)28-24(25)33)13-30-12-14-3-4-17(34-2)7-18(14)23(30)32;1-34-16-5-4-14-12-28(23(32)17(14)9-16)13-25(10-21(30)27-24(25)33)19-7-15-8-20(26-11-18(15)35-19)29-6-2-3-22(29)31;1-10-23-7-12-5-14(31-18(12)24-10)21(6-15(27)25-20(21)29)9-26-8-11-3-4-13(30-2)17(22)16(11)19(26)28;1-10-5-12-6-15(31-14(12)7-23-10)21(19(28)24-20(29)25-21)9-26-8-11-3-4-13(30-2)17(22)16(11)18(26)27/h3-7,9-11H,8,12-13H2,1-2H3,(H,28,31,33);4-5,7-9,11H,2-3,6,10,12-13H2,1H3,(H,27,30,33);3-5,7H,6,8-9H2,1-2H3,(H,25,27,29);3-7H,8-9H2,1-2H3,(H2,24,25,28,29)/t2*25-;2*21-/m1110/s1
• InChIKey: IPAIBGNMDXTQSU-NYLSIMPPSA-N
• XLogP: 7.67
• TPSA: 470.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.72
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione (CID 158763980) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione.

What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5cnn(C)c5)ncc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(N5CCCC5=O)ncc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(C)nc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?

The InChIKey is IPAIBGNMDXTQSU-NYLSIMPPSA-N. The full InChI is InChI=1S/C25H21N5O5.C25H22N4O6.2C21H17FN4O5/c1-29-11-16(9-27-29)19-5-15-6-21(35-20(15)10-26-19)25(8-22(31)28-24(25)33)13-30-12-14-3-4-17(34-2)7-18(14)23(30)32;1-34-16-5-4-14-12-28(23(32)17(14)9-16)13-25(10-21(30)27-24(25)33)19-7-15-8-20(26-11-18(15)35-19)29-6-2-3-22(29)31;1-10-23-7-12-5-14(31-18(12)24-10)21(6-15(27)25-20(21)29)9-26-8-11-3-4-13(30-2)17(22)16(11)19(26)28;1-10-5-12-6-15(31-14(12)7-23-10)21(19(28)24-20(29)25-21)9-26-8-11-3-4-13(30-2)17(22)16(11)18(26)27/h3-7,9-11H,8,12-13H2,1-2H3,(H,28,31,33);4-5,7-9,11H,2-3,6,10,12-13H2,1H3,(H,27,30,33);3-5,7H,6,8-9H2,1-2H3,(H,25,27,29);3-7H,8-9H2,1-2H3,(H2,24,25,28,29)/t2*25-;2*21-/m1110/s1.

What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione?

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 1794.72 g/mol, XLogP of 7.67, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-methylfuro[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-oxopyrrolidin-1-yl)furo[2,3-c]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158763980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).