4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid

C11H10N2O2 — CID 54407536

IUPAC4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid
SMILESO=C(O)CC=Cc1ncn2ccccc12
InChIInChI=1S/C11H10N2O2/c14-11(15)6-3-4-9-10-5-1-2-7-13(10)8-12-9/h1-5,7-8H,6H2,(H,14,15)
InChIKeyVRTXGVLMRGKQOM-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.82
Rot. Bonds3

About 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid

4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid (PubChem CID 54407536) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid.

Molecular Properties

Compound Name4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid
PubChem CID54407536
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid
SMILESO=C(O)CC=Cc1ncn2ccccc12
InChIInChI=1S/C11H10N2O2/c14-11(15)6-3-4-9-10-5-1-2-7-13(10)8-12-9/h1-5,7-8H,6H2,(H,14,15)
InChIKeyVRTXGVLMRGKQOM-UHFFFAOYSA-N
XLogP1.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pirmagrel
CID 55390
3-(1H-1,3-benzodiazol-1-yl)propanoic acid
CID 748256
(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
3-(1H-1,3-benzodiazol-1-yl)-2-methylpropanoic acid
CID 2911125
Imidazo(1,5-a)pyridine
CID 274090
Imidazo[1,2-a]pyridine-3-acetic acid
CID 87284
3-(2-Methyl-benzoimidazol-1-YL)-propionic acid hydrochloride
CID 9549352
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanoic acid
CID 937052
3-(5-methyl-1H-imidazol-1-yl)pyridine
CID 23646070
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
2-(7-Methylimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 326092
5-(5-Ethoxycarbonylpentyl)imidazo[1,5-a]pyridine
CID 13206138

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid?
The IUPAC name of 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid (CID 54407536) is 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid.
What is the SMILES notation for 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid?
The canonical SMILES for 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid is O=C(O)CC=Cc1ncn2ccccc12.
What is the InChIKey of 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid?
The InChIKey is VRTXGVLMRGKQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)6-3-4-9-10-5-1-2-7-13(10)8-12-9/h1-5,7-8H,6H2,(H,14,15).
What are the key properties of 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid?
4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,5-a]pyridin-1-ylbut-3-enoic acid is sourced from PubChem (CID 54407536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).