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

C28H24FN5O5 — CID 58053155

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

(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053155) has the molecular formula C28H24FN5O5 and a molecular weight of 529.53 g/mol. Its IUPAC name is (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 58053155
• Molecular Formula: C28H24FN5O5
• Molecular Weight: 529.53 g/mol
• Exact Mass: 529.18
• IUPAC Name: (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N(C)C)nc5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C28H24FN5O5/c1-33(2)22-9-5-15(12-30-22)17-6-8-19-18(31-17)10-21(39-19)28(11-23(35)32-27(28)37)14-34-13-16-4-7-20(38-3)25(29)24(16)26(34)36/h4-10,12H,11,13-14H2,1-3H3,(H,32,35,37)/t28-/m1/s1
• InChIKey: RGDAZLXUHUBVPX-MUUNZHRXSA-N
• XLogP: 3.04
• TPSA: 117.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053155) is (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N(C)C)nc5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is RGDAZLXUHUBVPX-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H24FN5O5/c1-33(2)22-9-5-15(12-30-22)17-6-8-19-18(31-17)10-21(39-19)28(11-23(35)32-27(28)37)14-34-13-16-4-7-20(38-3)25(29)24(16)26(34)36/h4-10,12H,11,13-14H2,1-3H3,(H,32,35,37)/t28-/m1/s1.

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

(3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 529.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-[6-(dimethylamino)-3-pyridinyl]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).