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

C15H19N3O — CID 117138528

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCC1c1ncc2ccc(C=O)cn12
InChIInChI=1S/C15H19N3O/c1-11(2)17-7-3-4-14(17)15-16-8-13-6-5-12(10-19)9-18(13)15/h5-6,8-11,14H,3-4,7H2,1-2H3
InChIKeyVNGHLNURMAHRHE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds3

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

3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117138528) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117138528
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCC1c1ncc2ccc(C=O)cn12
InChIInChI=1S/C15H19N3O/c1-11(2)17-7-3-4-14(17)15-16-8-13-6-5-12(10-19)9-18(13)15/h5-6,8-11,14H,3-4,7H2,1-2H3
InChIKeyVNGHLNURMAHRHE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138544
3-(thian-3-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138507
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141571
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138555
3-(1-propan-2-ylpiperidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141639
3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143549
8-chloro-3-(1-propan-2-ylpiperidin-2-yl)imidazo[1,5-a]pyridine
CID 117146603
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
6-methyl-3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine
CID 117139154
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
CID 115090621
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139116

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde (CID 117138528) is 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde is CC(C)N1CCCC1c1ncc2ccc(C=O)cn12.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is VNGHLNURMAHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)17-7-3-4-14(17)15-16-8-13-6-5-12(10-19)9-18(13)15/h5-6,8-11,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).