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

C15H10N4O4 — CID 169330984

IUPAC4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc3c1C(=O)NC3)C(=O)NC2=O
InChIInChI=1S/C15H10N4O4/c16-12-11-7(13(21)18-15(11)23)4-9(20)19(12)8-3-1-2-6-5-17-14(22)10(6)8/h1-4H,5,16H2,(H,17,22)(H,18,21,23)
InChIKeyZRGJUCKSROZMHT-UHFFFAOYSA-N
MW310.27 g/mol
LogP-0.45
Rot. Bonds1

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

4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330984) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330984
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc3c1C(=O)NC3)C(=O)NC2=O
InChIInChI=1S/C15H10N4O4/c16-12-11-7(13(21)18-15(11)23)4-9(20)19(12)8-3-1-2-6-5-17-14(22)10(6)8/h1-4H,5,16H2,(H,17,22)(H,18,21,23)
InChIKeyZRGJUCKSROZMHT-UHFFFAOYSA-N
XLogP-0.45
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327164
4-amino-5-(1,3-benzodioxol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328558
4-amino-5-(2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326722
4-amino-5-(2-tert-butylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326916
4-amino-5-(3-fluoro-2-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327005
4-amino-5-[2-(3-methylphenyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327671
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylbenzoic acid
CID 169331643
4-amino-5-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328731
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-1,3-dioxoisoindol-2-yl]acetic acid
CID 169327539
4-amino-5-(2-fluoro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331420
4-amino-5-[2-(2-hydroxyethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326899
4-amino-5-(2-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327689

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330984) is 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cccc3c1C(=O)NC3)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is ZRGJUCKSROZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c16-12-11-7(13(21)18-15(11)23)4-9(20)19(12)8-3-1-2-6-5-17-14(22)10(6)8/h1-4H,5,16H2,(H,17,22)(H,18,21,23).
What are the key properties of 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 310.27 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).