2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde

C17H12N4O — CID 162759487

IUPAC2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESNc1nc2ccc(-c3cncc4ccccc34)cn2c1C=O
InChIInChI=1S/C17H12N4O/c18-17-15(10-22)21-9-12(5-6-16(21)20-17)14-8-19-7-11-3-1-2-4-13(11)14/h1-10H,18H2
InChIKeyVSWYSPLSTHYVLQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.94
Rot. Bonds2

About 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde

2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 162759487) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID162759487
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESNc1nc2ccc(-c3cncc4ccccc34)cn2c1C=O
InChIInChI=1S/C17H12N4O/c18-17-15(10-22)21-9-12(5-6-16(21)20-17)14-8-19-7-11-3-1-2-4-13(11)14/h1-10H,18H2
InChIKeyVSWYSPLSTHYVLQ-UHFFFAOYSA-N
XLogP2.94
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(1H-indol-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759628
2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759536
2-amino-6-(6-fluoro-1H-indol-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759387
2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759639
2-amino-6-(5-chloro-1H-indol-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759624
2-methyl-6-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2759987
3-isoquinolin-4-ylaniline
CID 22724137
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
2-hydroxy-5-isoquinolin-4-yl-3-(trifluoromethyl)benzaldehyde
CID 59599792
4-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582428
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
hydron;isoquinoline-4-carbaldehyde
CID 174467251

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 162759487) is 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde is Nc1nc2ccc(-c3cncc4ccccc34)cn2c1C=O.
What is the InChIKey of 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is VSWYSPLSTHYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-17-15(10-22)21-9-12(5-6-16(21)20-17)14-8-19-7-11-3-1-2-4-13(11)14/h1-10H,18H2.
What are the key properties of 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 288.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 162759487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).