8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H16N4O2 — CID 117255601

IUPAC8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(CN3CCCC3)nc(C(=O)O)c12
InChIInChI=1S/C13H16N4O2/c14-9-4-3-7-17-10(8-16-5-1-2-6-16)15-11(12(9)17)13(18)19/h3-4,7H,1-2,5-6,8,14H2,(H,18,19)
InChIKeyGTIQVTSBMPOKLI-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.21
Rot. Bonds3

About 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255601) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255601
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(CN3CCCC3)nc(C(=O)O)c12
InChIInChI=1S/C13H16N4O2/c14-9-4-3-7-17-10(8-16-5-1-2-6-16)15-11(12(9)17)13(18)19/h3-4,7H,1-2,5-6,8,14H2,(H,18,19)
InChIKeyGTIQVTSBMPOKLI-UHFFFAOYSA-N
XLogP1.21
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255601) is 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccn2c(CN3CCCC3)nc(C(=O)O)c12.
What is the InChIKey of 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is GTIQVTSBMPOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-4-3-7-17-10(8-16-5-1-2-6-16)15-11(12(9)17)13(18)19/h3-4,7H,1-2,5-6,8,14H2,(H,18,19).
What are the key properties of 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).