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

C27H20N4O2 — CID 155527562

IUPAC2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccccc1
InChIInChI=1S/C27H20N4O2/c1-17-15-22-25(28-16-17)31(19-9-3-2-4-10-19)23(29-22)13-14-30-26(32)20-11-5-7-18-8-6-12-21(24(18)20)27(30)33/h2-12,15-16H,13-14H2,1H3
InChIKeyCCABRVNHCRNZER-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.72
Rot. Bonds4

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

2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 155527562) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
PubChem CID155527562
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccccc1
InChIInChI=1S/C27H20N4O2/c1-17-15-22-25(28-16-17)31(19-9-3-2-4-10-19)23(29-22)13-14-30-26(32)20-11-5-7-18-8-6-12-21(24(18)20)27(30)33/h2-12,15-16H,13-14H2,1H3
InChIKeyCCABRVNHCRNZER-UHFFFAOYSA-N
XLogP4.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione (CID 155527562) is 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione is Cc1cnc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccccc1.
What is the InChIKey of 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is CCABRVNHCRNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-17-15-22-25(28-16-17)31(19-9-3-2-4-10-19)23(29-22)13-14-30-26(32)20-11-5-7-18-8-6-12-21(24(18)20)27(30)33/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione?
2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 432.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 155527562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).