methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate

C26H24FN3O7 — CID 143990167

About methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate

methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate (PubChem CID 143990167) has the molecular formula C26H24FN3O7 and a molecular weight of 509.49 g/mol. Its IUPAC name is methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate
• PubChem CID: 143990167
• Molecular Formula: C26H24FN3O7
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.16
• IUPAC Name: methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate
• SMILES: COC(=O)c1cnc2cc([C@@]3(CN4Cc5ccc(OC)c(F)c5C4=O)C(=O)NC(=O)C(C)C3C)oc2c1
• InChI: InChI=1S/C26H24FN3O7/c1-12-13(2)26(25(34)29-22(12)31,19-8-16-18(37-19)7-15(9-28-16)24(33)36-4)11-30-10-14-5-6-17(35-3)21(27)20(14)23(30)32/h5-9,12-13H,10-11H2,1-4H3,(H,29,31,34)/t12?,13?,26-/m0/s1
• InChIKey: KDTDKRNLAHJPGH-WXYVVBEESA-N
• XLogP: 2.58
• TPSA: 128.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	2.58
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 methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate?

The IUPAC name of methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate (CID 143990167) is methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate.

What is the SMILES notation for methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate?

The canonical SMILES for methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2cc([C@@]3(CN4Cc5ccc(OC)c(F)c5C4=O)C(=O)NC(=O)C(C)C3C)oc2c1.

What is the InChIKey of methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate?

The InChIKey is KDTDKRNLAHJPGH-WXYVVBEESA-N. The full InChI is InChI=1S/C26H24FN3O7/c1-12-13(2)26(25(34)29-22(12)31,19-8-16-18(37-19)7-15(9-28-16)24(33)36-4)11-30-10-14-5-6-17(35-3)21(27)20(14)23(30)32/h5-9,12-13H,10-11H2,1-4H3,(H,29,31,34)/t12?,13?,26-/m0/s1.

What are the key properties of methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate?

methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate has a molecular weight of 509.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4,5-dimethyl-2,6-dioxopiperidin-3-yl]furo[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 143990167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).