4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C16H11N3O4 — CID 169327876

IUPAC4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2o1
InChIInChI=1S/C16H11N3O4/c1-7-4-8-5-9(2-3-11(8)23-7)19-12(20)6-10-13(14(19)17)16(22)18-15(10)21/h2-6H,17H2,1H3,(H,18,21,22)
InChIKeyPCVCLAKEWKHRQO-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.36
Rot. Bonds1

About 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327876) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327876
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2o1
InChIInChI=1S/C16H11N3O4/c1-7-4-8-5-9(2-3-11(8)23-7)19-12(20)6-10-13(14(19)17)16(22)18-15(10)21/h2-6H,17H2,1H3,(H,18,21,22)
InChIKeyPCVCLAKEWKHRQO-UHFFFAOYSA-N
XLogP1.36
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329749
4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
6-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)naphthalene-2-sulfonic acid
CID 169331497
4-amino-5-(1-methylindol-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328611
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
4-amino-5-(4-methyl-2-oxo-1H-quinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329453
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
ethyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169326707
4-amino-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331084
4-amino-5-(4-bromo-3-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327552
4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327876) is 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2o1.
What is the InChIKey of 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is PCVCLAKEWKHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c1-7-4-8-5-9(2-3-11(8)23-7)19-12(20)6-10-13(14(19)17)16(22)18-15(10)21/h2-6H,17H2,1H3,(H,18,21,22).
What are the key properties of 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 309.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).