5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C11H14N4O2 — CID 117253231

IUPAC5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)Cc1nc(C(=O)O)c2cccc(N)n12
InChIInChI=1S/C11H14N4O2/c1-6(12)5-9-14-10(11(16)17)7-3-2-4-8(13)15(7)9/h2-4,6H,5,12-13H2,1H3,(H,16,17)
InChIKeyPTWXSYIVGCOYTP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.50
Rot. Bonds3

About 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253231) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253231
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)Cc1nc(C(=O)O)c2cccc(N)n12
InChIInChI=1S/C11H14N4O2/c1-6(12)5-9-14-10(11(16)17)7-3-2-4-8(13)15(7)9/h2-4,6H,5,12-13H2,1H3,(H,16,17)
InChIKeyPTWXSYIVGCOYTP-UHFFFAOYSA-N
XLogP0.50
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253231) is 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)Cc1nc(C(=O)O)c2cccc(N)n12.
What is the InChIKey of 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PTWXSYIVGCOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(12)5-9-14-10(11(16)17)7-3-2-4-8(13)15(7)9/h2-4,6H,5,12-13H2,1H3,(H,16,17).
What are the key properties of 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).