6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C16H21N3O2 — CID 82022008

IUPAC6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(N3CC(C)CC(C)C3)cn2c1C(=O)O
InChIInChI=1S/C16H21N3O2/c1-10-6-11(2)8-18(7-10)13-4-5-14-17-12(3)15(16(20)21)19(14)9-13/h4-5,9-11H,6-8H2,1-3H3,(H,20,21)
InChIKeySWUZKKZUWDTESK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.82
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82022008) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82022008
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(N3CC(C)CC(C)C3)cn2c1C(=O)O
InChIInChI=1S/C16H21N3O2/c1-10-6-11(2)8-18(7-10)13-4-5-14-17-12(3)15(16(20)21)19(14)9-13/h4-5,9-11H,6-8H2,1-3H3,(H,20,21)
InChIKeySWUZKKZUWDTESK-UHFFFAOYSA-N
XLogP2.82
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 82022008) is 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1nc2ccc(N3CC(C)CC(C)C3)cn2c1C(=O)O.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is SWUZKKZUWDTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-11(2)8-18(7-10)13-4-5-14-17-12(3)15(16(20)21)19(14)9-13/h4-5,9-11H,6-8H2,1-3H3,(H,20,21).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82022008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).