2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C17H15N3O — CID 43477784

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCc3ccccc3C2)nc2ccccn12
InChIInChI=1S/C17H15N3O/c21-12-15-17(18-16-7-3-4-9-20(15)16)19-10-8-13-5-1-2-6-14(13)11-19/h1-7,9,12H,8,10-11H2
InChIKeyKFOCXLICGYLOGK-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.71
Rot. Bonds2

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477784) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477784
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCc3ccccc3C2)nc2ccccn12
InChIInChI=1S/C17H15N3O/c21-12-15-17(18-16-7-3-4-9-20(15)16)19-10-8-13-5-1-2-6-14(13)11-19/h1-7,9,12H,8,10-11H2
InChIKeyKFOCXLICGYLOGK-UHFFFAOYSA-N
XLogP2.71
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62090737
2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106836344
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 91642906
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102884295
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 6212485
1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 62205742
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 61346910
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102933312

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477784) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(N2CCc3ccccc3C2)nc2ccccn12.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is KFOCXLICGYLOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-12-15-17(18-16-7-3-4-9-20(15)16)19-10-8-13-5-1-2-6-14(13)11-19/h1-7,9,12H,8,10-11H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 277.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).