3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C12H12N2O3 — CID 84740926

IUPAC3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1ccn2c(CCC(=O)O)nc(C=O)c2c1
InChIInChI=1S/C12H12N2O3/c1-8-4-5-14-10(6-8)9(7-15)13-11(14)2-3-12(16)17/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyVOAPIKBOVCHOBK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.47
Rot. Bonds4

About 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 84740926) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID84740926
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1ccn2c(CCC(=O)O)nc(C=O)c2c1
InChIInChI=1S/C12H12N2O3/c1-8-4-5-14-10(6-8)9(7-15)13-11(14)2-3-12(16)17/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyVOAPIKBOVCHOBK-UHFFFAOYSA-N
XLogP1.47
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
7-methyl-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84739779
3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740260
3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid
CID 83842813
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
1-formyl-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84742895
3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035102
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740930
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83869559
3-[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82483973
3-[2-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propanoic acid
CID 82488789

Frequently Asked Questions

What is the IUPAC name of 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 84740926) is 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is Cc1ccn2c(CCC(=O)O)nc(C=O)c2c1.
What is the InChIKey of 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is VOAPIKBOVCHOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-4-5-14-10(6-8)9(7-15)13-11(14)2-3-12(16)17/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 84740926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).