1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid

C12H12N2O3 — CID 84740930

IUPAC1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)c1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C12H12N2O3/c1-7(2)11-13-9(6-15)10-5-8(12(16)17)3-4-14(10)11/h3-7H,1-2H3,(H,16,17)
InChIKeyRPQRDLOPIUWSKB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.97
Rot. Bonds3

About 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid

1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84740930) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84740930
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)c1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C12H12N2O3/c1-7(2)11-13-9(6-15)10-5-8(12(16)17)3-4-14(10)11/h3-7H,1-2H3,(H,16,17)
InChIKeyRPQRDLOPIUWSKB-UHFFFAOYSA-N
XLogP1.97
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.97
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

1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84741781
7-(dimethylamino)-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83894885
3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740260
1-formyl-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84742895
6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740196
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
3-(1,3-dihydroxypropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790563
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
3-(1-methoxy-1-oxopropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82773480
3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106330527
3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84740926

Frequently Asked Questions

What is the IUPAC name of 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84740930) is 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid is CC(C)c1nc(C=O)c2cc(C(=O)O)ccn12.
What is the InChIKey of 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is RPQRDLOPIUWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7(2)11-13-9(6-15)10-5-8(12(16)17)3-4-14(10)11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid?
1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84740930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).