6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

C12H14N2O2 — CID 84740196

IUPAC6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(C(C)C)n2c1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-10(7-15)11-5-4-9(16-3)6-14(11)12/h4-8H,1-3H3
InChIKeyIHPOBHWLYQZPOA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.28
Rot. Bonds3

About 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84740196) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84740196
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(C(C)C)n2c1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-10(7-15)11-5-4-9(16-3)6-14(11)12/h4-8H,1-3H3
InChIKeyIHPOBHWLYQZPOA-UHFFFAOYSA-N
XLogP2.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.28
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

6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740931
7-(dimethylamino)-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83894885
1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740930
3-(4-methoxyphenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414817
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552199
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
1-(bromomethyl)-7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine
CID 112552922
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745312
6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
CID 126617781
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84740196) is 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is COc1ccc2c(C=O)nc(C(C)C)n2c1.
What is the InChIKey of 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is IHPOBHWLYQZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)12-13-10(7-15)11-5-4-9(16-3)6-14(11)12/h4-8H,1-3H3.
What are the key properties of 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 218.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84740196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).