(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C20H15N3O5 — CID 58053315

IUPAC(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cnccc3o2)C(=O)N1
InChIInChI=1S/C20H15N3O5/c24-13-2-1-11-9-23(18(26)14(11)6-13)10-20(7-17(25)22-19(20)27)16-5-12-8-21-4-3-15(12)28-16/h1-6,8,24H,7,9-10H2,(H,22,25,27)/t20-/m1/s1
InChIKeyNKDYBGYEQJGJEB-HXUWFJFHSA-N
MW377.36 g/mol
LogP1.47
Rot. Bonds3

About (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053315) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID58053315
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cnccc3o2)C(=O)N1
InChIInChI=1S/C20H15N3O5/c24-13-2-1-11-9-23(18(26)14(11)6-13)10-20(7-17(25)22-19(20)27)16-5-12-8-21-4-3-15(12)28-16/h1-6,8,24H,7,9-10H2,(H,22,25,27)/t20-/m1/s1
InChIKeyNKDYBGYEQJGJEB-HXUWFJFHSA-N
XLogP1.47
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053315) is (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is O=C1C[C@@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cnccc3o2)C(=O)N1.
What is the InChIKey of (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is NKDYBGYEQJGJEB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-13-2-1-11-9-23(18(26)14(11)6-13)10-20(7-17(25)22-19(20)27)16-5-12-8-21-4-3-15(12)28-16/h1-6,8,24H,7,9-10H2,(H,22,25,27)/t20-/m1/s1.
What are the key properties of (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
(3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 377.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-furo[3,2-c]pyridin-2-yl-3-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).