3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid

C16H14N2O2 — CID 117140304

IUPAC3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1cccc(Cc2ncc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-15-17-9-14-6-5-13(16(19)20)10-18(14)15/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyAOXANVWNZUNPPT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds3

About 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid

3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117140304) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117140304
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1cccc(Cc2ncc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-15-17-9-14-6-5-13(16(19)20)10-18(14)15/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyAOXANVWNZUNPPT-UHFFFAOYSA-N
XLogP2.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143633
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140371
3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-6-ol
CID 117139497
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747
3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142785
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158432
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
3,5-difluoro-4-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 63537880
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117140304) is 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid is Cc1cccc(Cc2ncc3ccc(C(=O)O)cn23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is AOXANVWNZUNPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-15-17-9-14-6-5-13(16(19)20)10-18(14)15/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).