2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde

C16H21N3O — CID 117133885

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCCN1CCC(Cc2cn3ccc(C=O)cc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-2-18-6-3-13(4-7-18)9-15-11-19-8-5-14(12-20)10-16(19)17-15/h5,8,10-13H,2-4,6-7,9H2,1H3
InChIKeyADYUBTLBAHZKHO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.42
Rot. Bonds4

About 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde

2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 117133885) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID117133885
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESCCN1CCC(Cc2cn3ccc(C=O)cc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-2-18-6-3-13(4-7-18)9-15-11-19-8-5-14(12-20)10-16(19)17-15/h5,8,10-13H,2-4,6-7,9H2,1H3
InChIKeyADYUBTLBAHZKHO-UHFFFAOYSA-N
XLogP2.42
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117133939
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133967
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117135256
3-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143521
2-[(1-ethylpiperidin-4-yl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117129178
2-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
[2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133868
2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-amine
CID 117133919
7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117133889

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde (CID 117133885) is 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde is CCN1CCC(Cc2cn3ccc(C=O)cc3n2)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is ADYUBTLBAHZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-18-6-3-13(4-7-18)9-15-11-19-8-5-14(12-20)10-16(19)17-15/h5,8,10-13H,2-4,6-7,9H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde?
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117133885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).