N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide

About N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide

N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide (PubChem CID 58053870) has the molecular formula C25H21FN4O6 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide
PubChem CID	58053870
Molecular Formula	C25H21FN4O6
Molecular Weight	492.46 g/mol
Exact Mass	492.14
IUPAC Name	N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)NC5CC5)cc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C25H21FN4O6/c1-35-16-5-2-12-10-30(23(33)20(12)21(16)26)11-25(8-19(31)29-24(25)34)18-7-15-17(36-18)6-13(9-27-15)22(32)28-14-3-4-14/h2,5-7,9,14H,3-4,8,10-11H2,1H3,(H,28,32)(H,29,31,34)/t25-/m1/s1
InChIKey	BALMAFXQTJMEHX-RUZDIDTESA-N
XLogP	1.81
TPSA	130.84 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.46
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide?

The IUPAC name of N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide (CID 58053870) is N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide.

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

The canonical SMILES for N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)NC5CC5)cc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is BALMAFXQTJMEHX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21FN4O6/c1-35-16-5-2-12-10-30(23(33)20(12)21(16)26)11-25(8-19(31)29-24(25)34)18-7-15-17(36-18)6-13(9-27-15)22(32)28-14-3-4-14/h2,5-7,9,14H,3-4,8,10-11H2,1H3,(H,28,32)(H,29,31,34)/t25-/m1/s1.

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

N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 58053870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).