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

C27H22FN5O5 — CID 58053714

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

(3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053714) has the molecular formula C27H22FN5O5 and a molecular weight of 515.50 g/mol. Its IUPAC name is (3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 58053714
• Molecular Formula: C27H22FN5O5
• Molecular Weight: 515.50 g/mol
• Exact Mass: 515.16
• IUPAC Name: (3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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(C)c(-c5ccc(N)nc5)cc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C27H22FN5O5/c1-13-16(14-4-6-21(29)30-10-14)7-19-17(31-13)8-20(38-19)27(9-22(34)32-26(27)36)12-33-11-15-3-5-18(37-2)24(28)23(15)25(33)35/h3-8,10H,9,11-12H2,1-2H3,(H2,29,30)(H,32,34,36)/t27-/m1/s1
• InChIKey: MFBAIVMDXQRMQD-HHHXNRCGSA-N
• XLogP: 2.87
• TPSA: 140.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.50
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
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-[6-(6-amino-3-pyridinyl)-5-methylfuro[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-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053714) is (3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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-[6-(6-amino-3-pyridinyl)-5-methylfuro[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-[6-(6-amino-3-pyridinyl)-5-methylfuro[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(C)c(-c5ccc(N)nc5)cc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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 MFBAIVMDXQRMQD-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H22FN5O5/c1-13-16(14-4-6-21(29)30-10-14)7-19-17(31-13)8-20(38-19)27(9-22(34)32-26(27)36)12-33-11-15-3-5-18(37-2)24(28)23(15)25(33)35/h3-8,10H,9,11-12H2,1-2H3,(H2,29,30)(H,32,34,36)/t27-/m1/s1.

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

(3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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 515.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-(6-amino-3-pyridinyl)-5-methylfuro[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 58053714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).