3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H21N3O2 — CID 117250436

IUPAC3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCN1CCC(c2nc(C(=O)O)c3cccc(C)n23)CC1
InChIInChI=1S/C16H21N3O2/c1-3-18-9-7-12(8-10-18)15-17-14(16(20)21)13-6-4-5-11(2)19(13)15/h4-6,12H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyLCYOFVPDDZMPMN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250436) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250436
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCN1CCC(c2nc(C(=O)O)c3cccc(C)n23)CC1
InChIInChI=1S/C16H21N3O2/c1-3-18-9-7-12(8-10-18)15-17-14(16(20)21)13-6-4-5-11(2)19(13)15/h4-6,12H,3,7-10H2,1-2H3,(H,20,21)
InChIKeyLCYOFVPDDZMPMN-UHFFFAOYSA-N
XLogP2.54
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250436) is 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid is CCN1CCC(c2nc(C(=O)O)c3cccc(C)n23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is LCYOFVPDDZMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-18-9-7-12(8-10-18)15-17-14(16(20)21)13-6-4-5-11(2)19(13)15/h4-6,12H,3,7-10H2,1-2H3,(H,20,21).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).