3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C12H12N2O3 — CID 116984055

IUPAC3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2(CO)CC2)n2ccccc12
InChIInChI=1S/C12H12N2O3/c15-7-12(4-5-12)11-13-9(10(16)17)8-3-1-2-6-14(8)11/h1-3,6,15H,4-5,7H2,(H,16,17)
InChIKeyJQTRHOFWAGAQJU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.06
Rot. Bonds3

About 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid

3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984055) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984055
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2(CO)CC2)n2ccccc12
InChIInChI=1S/C12H12N2O3/c15-7-12(4-5-12)11-13-9(10(16)17)8-3-1-2-6-14(8)11/h1-3,6,15H,4-5,7H2,(H,16,17)
InChIKeyJQTRHOFWAGAQJU-UHFFFAOYSA-N
XLogP1.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358
3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 82477425
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110631484

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984055) is 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C2(CO)CC2)n2ccccc12.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JQTRHOFWAGAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-7-12(4-5-12)11-13-9(10(16)17)8-3-1-2-6-14(8)11/h1-3,6,15H,4-5,7H2,(H,16,17).
What are the key properties of 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).