3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H11N3O2 — CID 82477425

IUPAC3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCn1ccc(-c2nc(C(=O)O)c3ccccn23)c1
InChIInChI=1S/C13H11N3O2/c1-15-7-5-9(8-15)12-14-11(13(17)18)10-4-2-3-6-16(10)12/h2-8H,1H3,(H,17,18)
InChIKeyARXIXCICOLXSMT-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.04
Rot. Bonds2

About 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 82477425) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID82477425
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCn1ccc(-c2nc(C(=O)O)c3ccccn23)c1
InChIInChI=1S/C13H11N3O2/c1-15-7-5-9(8-15)12-14-11(13(17)18)10-4-2-3-6-16(10)12/h2-8H,1H3,(H,17,18)
InChIKeyARXIXCICOLXSMT-UHFFFAOYSA-N
XLogP2.04
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-pyridin-2-ylmethanone
CID 11023969
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-2-oxoacetic acid
CID 82282708
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155860214
tert-butyl 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 139192063
3-(4-fluorophenyl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251462

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 82477425) is 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is Cn1ccc(-c2nc(C(=O)O)c3ccccn23)c1.
What is the InChIKey of 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ARXIXCICOLXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-15-7-5-9(8-15)12-14-11(13(17)18)10-4-2-3-6-16(10)12/h2-8H,1H3,(H,17,18).
What are the key properties of 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 82477425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).