2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde

C14H17N3O — CID 117128929

IUPAC2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCN1CCC(c2cn3cc(C=O)ccc3n2)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-4-12(5-7-16)13-9-17-8-11(10-18)2-3-14(17)15-13/h2-3,8-10,12H,4-7H2,1H3
InChIKeyPJVQGAZVLPSPJB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.96
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde

2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117128929) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117128929
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCN1CCC(c2cn3cc(C=O)ccc3n2)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-4-12(5-7-16)13-9-17-8-11(10-18)2-3-14(17)15-13/h2-3,8-10,12H,4-7H2,1H3
InChIKeyPJVQGAZVLPSPJB-UHFFFAOYSA-N
XLogP1.96
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.96
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

3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138470
2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117128776
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129022
2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
CID 117131112

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117128929) is 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde is CN1CCC(c2cn3cc(C=O)ccc3n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is PJVQGAZVLPSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-6-4-12(5-7-16)13-9-17-8-11(10-18)2-3-14(17)15-13/h2-3,8-10,12H,4-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde?
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117128929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).