(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

C25H20N4O5 — CID 58053862

IUPAC(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
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccn[nH]5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C25H20N4O5/c1-33-17-4-2-15-12-29(23(31)18(15)10-17)13-25(11-22(30)27-24(25)32)21-9-16-8-14(3-5-20(16)34-21)19-6-7-26-28-19/h2-10H,11-13H2,1H3,(H,26,28)(H,27,30,32)/t25-/m1/s1
InChIKeyWBBHKANVOZWOLI-RUZDIDTESA-N
MW456.46 g/mol
LogP2.77
Rot. Bonds5

About (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

(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 (PubChem CID 58053862) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58053862
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name(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
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccn[nH]5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C25H20N4O5/c1-33-17-4-2-15-12-29(23(31)18(15)10-17)13-25(11-22(30)27-24(25)32)21-9-16-8-14(3-5-20(16)34-21)19-6-7-26-28-19/h2-10H,11-13H2,1H3,(H,26,28)(H,27,30,32)/t25-/m1/s1
InChIKeyWBBHKANVOZWOLI-RUZDIDTESA-N
XLogP2.77
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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-[4-(dimethylamino)butanoyl]-1-benzofuran-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053781
(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
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-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-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
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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione (CID 58053862) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5ccn[nH]5)ccc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (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?
The InChIKey is WBBHKANVOZWOLI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20N4O5/c1-33-17-4-2-15-12-29(23(31)18(15)10-17)13-25(11-22(30)27-24(25)32)21-9-16-8-14(3-5-20(16)34-21)19-6-7-26-28-19/h2-10H,11-13H2,1H3,(H,26,28)(H,27,30,32)/t25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 456.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 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-(1H-pyrazol-5-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).