3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde

C15H19N3O — CID 117138555

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCCN1CCCC1Cc1ncc2ccc(C=O)cn12
InChIInChI=1S/C15H19N3O/c1-2-17-7-3-4-13(17)8-15-16-9-14-6-5-12(11-19)10-18(14)15/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyXQSYXDWDRICXEY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde

3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117138555) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117138555
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCCN1CCCC1Cc1ncc2ccc(C=O)cn12
InChIInChI=1S/C15H19N3O/c1-2-17-7-3-4-13(17)8-15-16-9-14-6-5-12(11-19)10-18(14)15/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyXQSYXDWDRICXEY-UHFFFAOYSA-N
XLogP2.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
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-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138556
3-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxyimidazo[1,5-a]pyridine
CID 117137995
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140229
7-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117144209
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-ol
CID 117146658
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140497
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146656
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138528
3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143549
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150087
3-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143521
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde (CID 117138555) is 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde is CCN1CCCC1Cc1ncc2ccc(C=O)cn12.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is XQSYXDWDRICXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-17-7-3-4-13(17)8-15-16-9-14-6-5-12(11-19)10-18(14)15/h5-6,9-11,13H,2-4,7-8H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde?
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).