2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione

C26H19N5O2 — CID 155549412

IUPAC2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1
InChIInChI=1S/C26H19N5O2/c1-16-14-21-24(28-15-16)31(18-8-11-27-12-9-18)22(29-21)10-13-30-25(32)19-6-2-4-17-5-3-7-20(23(17)19)26(30)33/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyLJGFEXWVGDGHMI-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione

2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 155549412) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
PubChem CID155549412
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1
InChIInChI=1S/C26H19N5O2/c1-16-14-21-24(28-15-16)31(18-8-11-27-12-9-18)22(29-21)10-13-30-25(32)19-6-2-4-17-5-3-7-20(23(17)19)26(30)33/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyLJGFEXWVGDGHMI-UHFFFAOYSA-N
XLogP4.12
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione (CID 155549412) is 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione is Cc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1.
What is the InChIKey of 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is LJGFEXWVGDGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-16-14-21-24(28-15-16)31(18-8-11-27-12-9-18)22(29-21)10-13-30-25(32)19-6-2-4-17-5-3-7-20(23(17)19)26(30)33/h2-9,11-12,14-15H,10,13H2,1H3.
What are the key properties of 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 433.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 155549412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).