(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione

C27H21N3O5 — CID 58053891

IUPAC(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccncc5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C27H21N3O5/c1-34-20-4-2-18-14-30(25(32)21(18)12-20)15-27(13-24(31)29-26(27)33)23-11-19-10-17(3-5-22(19)35-23)16-6-8-28-9-7-16/h2-12H,13-15H2,1H3,(H,29,31,33)/t27-/m1/s1
InChIKeyCGCOROGXAXUDNG-HHHXNRCGSA-N
MW467.48 g/mol
LogP3.44
Rot. Bonds5

About (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione

(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione (PubChem CID 58053891) has the molecular formula C27H21N3O5 and a molecular weight of 467.48 g/mol. Its IUPAC name is (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione
PubChem CID58053891
Molecular FormulaC27H21N3O5
Molecular Weight467.48 g/mol
Exact Mass467.15
IUPAC Name(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccncc5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C27H21N3O5/c1-34-20-4-2-18-14-30(25(32)21(18)12-20)15-27(13-24(31)29-26(27)33)23-11-19-10-17(3-5-22(19)35-23)16-6-8-28-9-7-16/h2-12H,13-15H2,1H3,(H,29,31,33)/t27-/m1/s1
InChIKeyCGCOROGXAXUDNG-HHHXNRCGSA-N
XLogP3.44
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-5-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
CID 58053862
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,2,4-triazol-1-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
CID 58053560
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
CID 58053618
(3R)-3-[5-[4-(dimethylamino)butanoyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053781
1-ethyl-3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]urea
CID 58053106
(3R)-3-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053350
5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6-methyl-1-benzofuran-5-yl]-5-methylimidazolidine-2,4-dione
CID 58053164
(3R)-3-(6-ethylsulfonyl-5-methyl-1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053394
ethyl N-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]carbamate
CID 58053457
(3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053517
2-[3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,7-dioxoazepan-3-yl]-1-benzofuran-5-carbaldehyde
CID 143990464
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-(piperazine-1-carbonyl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
CID 58053428

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione (CID 58053891) is (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccncc5)ccc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione?
The InChIKey is CGCOROGXAXUDNG-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H21N3O5/c1-34-20-4-2-18-14-30(25(32)21(18)12-20)15-27(13-24(31)29-26(27)33)23-11-19-10-17(3-5-22(19)35-23)16-6-8-28-9-7-16/h2-12H,13-15H2,1H3,(H,29,31,33)/t27-/m1/s1.
What are the key properties of (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione?
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione has a molecular weight of 467.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).