3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid

C12H14N2O2 — CID 83836461

IUPAC3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid
SMILESCc1cccc2c(C(C)CC(=O)O)ncn12
InChIInChI=1S/C12H14N2O2/c1-8(6-11(15)16)12-10-5-3-4-9(2)14(10)7-13-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyPDHXOLZLVWGFCP-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.22
Rot. Bonds3

About 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid

3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid (PubChem CID 83836461) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid
PubChem CID83836461
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid
SMILESCc1cccc2c(C(C)CC(=O)O)ncn12
InChIInChI=1S/C12H14N2O2/c1-8(6-11(15)16)12-10-5-3-4-9(2)14(10)7-13-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyPDHXOLZLVWGFCP-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
CID 83898224
3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)butanoic acid
CID 83836446
3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836470
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
2-(5-methylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83827517
3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 116984856
3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
CID 117120620
3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid
CID 90142952
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
3-(3-methoxypyrazin-2-yl)butanoic acid
CID 104516745
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid?
The IUPAC name of 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid (CID 83836461) is 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid?
The canonical SMILES for 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid is Cc1cccc2c(C(C)CC(=O)O)ncn12.
What is the InChIKey of 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid?
The InChIKey is PDHXOLZLVWGFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(6-11(15)16)12-10-5-3-4-9(2)14(10)7-13-12/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid?
3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylimidazo[1,5-a]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 83836461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).