2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde

C13H16N2O — CID 117135256

IUPAC2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCC(C)(C)Cc1cn2ccc(C=O)cc2n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)7-11-8-15-5-4-10(9-16)6-12(15)14-11/h4-6,8-9H,7H2,1-3H3
InChIKeyADBFNFJEOSULAA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.74
Rot. Bonds2

About 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde

2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 117135256) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID117135256
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCC(C)(C)Cc1cn2ccc(C=O)cc2n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)7-11-8-15-5-4-10(9-16)6-12(15)14-11/h4-6,8-9H,7H2,1-3H3
InChIKeyADBFNFJEOSULAA-UHFFFAOYSA-N
XLogP2.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-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-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133885
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine
CID 58459584
ethane;imidazo[1,2-a]pyridine-7-carbaldehyde
CID 156651569
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
2-(4,5-dimethyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 82387551
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetaldehyde
CID 83898362
2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134266
2-(methylaminomethyl)imidazo[1,2-a]pyridin-7-amine
CID 117256321

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 117135256) is 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde is CC(C)(C)Cc1cn2ccc(C=O)cc2n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is ADBFNFJEOSULAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)7-11-8-15-5-4-10(9-16)6-12(15)14-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117135256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).