2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde

C13H15N3O — CID 117131112

IUPAC2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCN1CCC(c2cn3c(C=O)cccc3n2)C1
InChIInChI=1S/C13H15N3O/c1-15-6-5-10(7-15)12-8-16-11(9-17)3-2-4-13(16)14-12/h2-4,8-10H,5-7H2,1H3
InChIKeyCRNYNHPNBXAACD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde

2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde (PubChem CID 117131112) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
PubChem CID117131112
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
SMILESCN1CCC(c2cn3c(C=O)cccc3n2)C1
InChIInChI=1S/C13H15N3O/c1-15-6-5-10(7-15)12-8-16-11(9-17)3-2-4-13(16)14-12/h2-4,8-10H,5-7H2,1H3
InChIKeyCRNYNHPNBXAACD-UHFFFAOYSA-N
XLogP1.57
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.57
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-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117128776
2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde
CID 82405072
2-(3,5-dimethyl-1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-5-carbaldehyde
CID 82388345
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
8-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine
CID 117135829
2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133495
3-bromo-4-(1-methylpyrrolidin-3-yl)benzaldehyde
CID 83844673
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
2-benzylimidazo[1,2-a]pyridine-5-carbaldehyde
CID 117132555
3-(1-methylpyrrolidin-3-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117141268
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131294
2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116821747

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde (CID 117131112) is 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde is CN1CCC(c2cn3c(C=O)cccc3n2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
The InChIKey is CRNYNHPNBXAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-15-6-5-10(7-15)12-8-16-11(9-17)3-2-4-13(16)14-12/h2-4,8-10H,5-7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde?
2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117131112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).