1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C12H15BrN2O2 — CID 117248785

IUPAC1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(Br)nc(C3CCC3)n2C1
InChIInChI=1S/C12H15BrN2O2/c13-10-9-5-4-8(12(16)17)6-15(9)11(14-10)7-2-1-3-7/h7-8H,1-6H2,(H,16,17)
InChIKeyFIMZBCGCLDLXRF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.56
Rot. Bonds2

About 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117248785) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117248785
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(Br)nc(C3CCC3)n2C1
InChIInChI=1S/C12H15BrN2O2/c13-10-9-5-4-8(12(16)17)6-15(9)11(14-10)7-2-1-3-7/h7-8H,1-6H2,(H,16,17)
InChIKeyFIMZBCGCLDLXRF-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248784
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83641939
3-bromo-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83867673
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83646498
3-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147856
3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869830
3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84606293
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117248242
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 105497652
1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248114
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 117248785) is 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2c(Br)nc(C3CCC3)n2C1.
What is the InChIKey of 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is FIMZBCGCLDLXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-9-5-4-8(12(16)17)6-15(9)11(14-10)7-2-1-3-7/h7-8H,1-6H2,(H,16,17).
What are the key properties of 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 299.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117248785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).