3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

C14H17N3O2 — CID 117142621

IUPAC3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCN1CCCCC1c1ncc2cccc(C(=O)O)n12
InChIInChI=1S/C14H17N3O2/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14(18)19)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyYLZQSLTZECHGMX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.19
Rot. Bonds2

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

3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117142621) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117142621
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCN1CCCCC1c1ncc2cccc(C(=O)O)n12
InChIInChI=1S/C14H17N3O2/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14(18)19)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyYLZQSLTZECHGMX-UHFFFAOYSA-N
XLogP2.19
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117142621) is 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is CN1CCCCC1c1ncc2cccc(C(=O)O)n12.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is YLZQSLTZECHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-8-3-2-6-11(16)13-15-9-10-5-4-7-12(14(18)19)17(10)13/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).