3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid

C12H14N2O2 — CID 83836478

IUPAC3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1cccc2c(CCC(=O)O)nc(C)n12
InChIInChI=1S/C12H14N2O2/c1-8-4-3-5-11-10(6-7-12(15)16)13-9(2)14(8)11/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyAFCYRLMOLWCTQT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.97
Rot. Bonds3

About 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid

3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid (PubChem CID 83836478) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
PubChem CID83836478
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1cccc2c(CCC(=O)O)nc(C)n12
InChIInChI=1S/C12H14N2O2/c1-8-4-3-5-11-10(6-7-12(15)16)13-9(2)14(8)11/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyAFCYRLMOLWCTQT-UHFFFAOYSA-N
XLogP1.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
1-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 83876946
4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84742117
3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 83890451
2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83839544
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
1-(3-cyclopropyl-5-methylimidazo[1,5-a]pyridin-1-yl)propan-2-one
CID 83840054
3-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-[5-(3-chlorophenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoic acid
CID 67558611
3-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]propanoic acid
CID 82134448
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The IUPAC name of 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid (CID 83836478) is 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid is Cc1cccc2c(CCC(=O)O)nc(C)n12.
What is the InChIKey of 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The InChIKey is AFCYRLMOLWCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-4-3-5-11-10(6-7-12(15)16)13-9(2)14(8)11/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid?
3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 83836478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).