6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione

C16H13N3O2 — CID 79721891

IUPAC6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNc1ccc2c(c1)CCC2N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C16H13N3O2/c17-10-4-5-11-9(8-10)3-6-13(11)19-15(20)12-2-1-7-18-14(12)16(19)21/h1-2,4-5,7-8,13H,3,6,17H2
InChIKeyJOAIAVDKGDVZMZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.95
Rot. Bonds1

About 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 79721891) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID79721891
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNc1ccc2c(c1)CCC2N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C16H13N3O2/c17-10-4-5-11-9(8-10)3-6-13(11)19-15(20)12-2-1-7-18-14(12)16(19)21/h1-2,4-5,7-8,13H,3,6,17H2
InChIKeyJOAIAVDKGDVZMZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 79721891) is 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione is Nc1ccc2c(c1)CCC2N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is JOAIAVDKGDVZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-10-4-5-11-9(8-10)3-6-13(11)19-15(20)12-2-1-7-18-14(12)16(19)21/h1-2,4-5,7-8,13H,3,6,17H2.
What are the key properties of 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 279.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 79721891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).