6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione

C16H13N3O2 — CID 63902170

IUPAC6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H13N3O2/c20-15-13-2-1-6-18-14(13)16(21)19(15)12-4-3-10-5-7-17-9-11(10)8-12/h1-4,6,8,17H,5,7,9H2
InChIKeyFSYPOFRGCVRCJR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.53
Rot. Bonds1

About 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 63902170) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID63902170
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H13N3O2/c20-15-13-2-1-6-18-14(13)16(21)19(15)12-4-3-10-5-7-17-9-11(10)8-12/h1-4,6,8,17H,5,7,9H2
InChIKeyFSYPOFRGCVRCJR-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 63902170) is 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccc2c(c1)CNCC2.
What is the InChIKey of 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is FSYPOFRGCVRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-13-2-1-6-18-14(13)16(21)19(15)12-4-3-10-5-7-17-9-11(10)8-12/h1-4,6,8,17H,5,7,9H2.
What are the key properties of 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 279.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 63902170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).