3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde

C16H21N3O — CID 117145988

IUPAC3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCC(C)N1CCCC(c2ncc3c(C=O)cccn23)C1
InChIInChI=1S/C16H21N3O/c1-12(2)18-7-3-5-13(10-18)16-17-9-15-14(11-20)6-4-8-19(15)16/h4,6,8-9,11-13H,3,5,7,10H2,1-2H3
InChIKeyKDFLTJRLZVAACJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds3

About 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde

3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117145988) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117145988
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCC(C)N1CCCC(c2ncc3c(C=O)cccn23)C1
InChIInChI=1S/C16H21N3O/c1-12(2)18-7-3-5-13(10-18)16-17-9-15-14(11-20)6-4-8-19(15)16/h4,6,8-9,11-13H,3,5,7,10H2,1-2H3
InChIKeyKDFLTJRLZVAACJ-UHFFFAOYSA-N
XLogP2.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
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-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145932
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145945
3-piperidin-4-ylimidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145941
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117146015
3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147415
3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141026
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146466
5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
CID 117140458
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358
5-(1-propan-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 73439906
5-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 110254388

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde (CID 117145988) is 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde is CC(C)N1CCCC(c2ncc3c(C=O)cccn23)C1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is KDFLTJRLZVAACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)18-7-3-5-13(10-18)16-17-9-15-14(11-20)6-4-8-19(15)16/h4,6,8-9,11-13H,3,5,7,10H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 2.73, 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-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117145988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).