2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C15H19N3O — CID 117130057

IUPAC2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCN1CCCC(Cc2cn3cc(C=O)ccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-17-6-2-3-12(8-17)7-14-10-18-9-13(11-19)4-5-15(18)16-14/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyJUTSQLMGGCEEMY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117130057) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117130057
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCN1CCCC(Cc2cn3cc(C=O)ccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-17-6-2-3-12(8-17)7-14-10-18-9-13(11-19)4-5-15(18)16-14/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyJUTSQLMGGCEEMY-UHFFFAOYSA-N
XLogP2.03
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
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-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117130150
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129769
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 117130121
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117130057) is 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is CN1CCCC(Cc2cn3cc(C=O)ccc3n2)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is JUTSQLMGGCEEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-6-2-3-12(8-17)7-14-10-18-9-13(11-19)4-5-15(18)16-14/h4-5,9-12H,2-3,6-8H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).