3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

C10H11N3O3 — CID 117254853

IUPAC3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C10H11N3O3/c1-5(11)9-12-7(10(15)16)8-6(14)3-2-4-13(8)9/h2-5,14H,11H2,1H3,(H,15,16)
InChIKeyCNRSHQZEOTXTGJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.76
Rot. Bonds2

About 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254853) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254853
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C10H11N3O3/c1-5(11)9-12-7(10(15)16)8-6(14)3-2-4-13(8)9/h2-5,14H,11H2,1H3,(H,15,16)
InChIKeyCNRSHQZEOTXTGJ-UHFFFAOYSA-N
XLogP0.76
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
3-(1-aminoethyl)-7-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254300
3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252385
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254853) is 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)c1nc(C(=O)O)c2c(O)cccn12.
What is the InChIKey of 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is CNRSHQZEOTXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(11)9-12-7(10(15)16)8-6(14)3-2-4-13(8)9/h2-5,14H,11H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).