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

C29H22FN7O5 — CID 58054012

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58054012) has the molecular formula C29H22FN7O5 and a molecular weight of 567.54 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 58054012
• Molecular Formula: C29H22FN7O5
• Molecular Weight: 567.54 g/mol
• Exact Mass: 567.17
• IUPAC Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5ccc(-c6cn[nH]c6)cn5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C29H22FN7O5/c1-41-20-4-2-16-13-37(27(39)25(16)26(20)30)14-29(9-24(38)36-28(29)40)21-8-18-19(42-21)5-7-23(34-18)35-22-6-3-15(10-31-22)17-11-32-33-12-17/h2-8,10-12H,9,13-14H2,1H3,(H,32,33)(H,31,34,35)(H,36,38,40)/t29-/m1/s1
• InChIKey: RZYOMENYTPGYTD-GDLZYMKVSA-N
• XLogP: 3.44
• TPSA: 155.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.54
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58054012) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5ccc(-c6cn[nH]c6)cn5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is RZYOMENYTPGYTD-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H22FN7O5/c1-41-20-4-2-16-13-37(27(39)25(16)26(20)30)14-29(9-24(38)36-28(29)40)21-8-18-19(42-21)5-7-23(34-18)35-22-6-3-15(10-31-22)17-11-32-33-12-17/h2-8,10-12H,9,13-14H2,1H3,(H,32,33)(H,31,34,35)(H,36,38,40)/t29-/m1/s1.

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 567.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58054012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).