3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C15H15BrN2O2 — CID 84610277

IUPAC3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc(Br)n3c2CC(C(=O)O)CC3)cc1
InChIInChI=1S/C15H15BrN2O2/c1-9-2-4-10(5-3-9)13-12-8-11(14(19)20)6-7-18(12)15(16)17-13/h2-5,11H,6-8H2,1H3,(H,19,20)
InChIKeyMPHDEQOULPISKG-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.27
Rot. Bonds2

About 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84610277) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84610277
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc(Br)n3c2CC(C(=O)O)CC3)cc1
InChIInChI=1S/C15H15BrN2O2/c1-9-2-4-10(5-3-9)13-12-8-11(14(19)20)6-7-18(12)15(16)17-13/h2-5,11H,6-8H2,1H3,(H,19,20)
InChIKeyMPHDEQOULPISKG-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84611804
3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966422
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249330
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83867907
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249335
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84606293
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83636150
1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84610273
1-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194155
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84610277) is 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is Cc1ccc(-c2nc(Br)n3c2CC(C(=O)O)CC3)cc1.
What is the InChIKey of 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is MPHDEQOULPISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-2-4-10(5-3-9)13-12-8-11(14(19)20)6-7-18(12)15(16)17-13/h2-5,11H,6-8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84610277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).