3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde

C16H13FN2O — CID 28752029

IUPAC3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(CCc2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H13FN2O/c17-13-7-4-12(5-8-13)6-9-16-18-14(11-20)15-3-1-2-10-19(15)16/h1-5,7-8,10-11H,6,9H2
InChIKeyOSZRXAROKIDPCB-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde

3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 28752029) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID28752029
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(CCc2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H13FN2O/c17-13-7-4-12(5-8-13)6-9-16-18-14(11-20)15-3-1-2-10-19(15)16/h1-5,7-8,10-11H,6,9H2
InChIKeyOSZRXAROKIDPCB-UHFFFAOYSA-N
XLogP3.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84760068
3-(3,4-difluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 82483282
CID 89207227
CID 89207227
N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
CID 84760220
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 957617
3-cyclobutylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83831717
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552199
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 117250849
3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 28752017

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde (CID 28752029) is 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(CCc2ccc(F)cc2)n2ccccc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is OSZRXAROKIDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-7-4-12(5-8-13)6-9-16-18-14(11-20)15-3-1-2-10-19(15)16/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 268.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 28752029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).