2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid

C16H21N3O2 — CID 82022022

IUPAC2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCC1CCCC(C)N1c1ccc2nc(CC(=O)O)cn2c1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-12(2)19(11)14-6-7-15-17-13(8-16(20)21)9-18(15)10-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyOEHNIRJDUNNBSS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds3

About 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82022022) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82022022
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCC1CCCC(C)N1c1ccc2nc(CC(=O)O)cn2c1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-12(2)19(11)14-6-7-15-17-13(8-16(20)21)9-18(15)10-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyOEHNIRJDUNNBSS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022014
2-[6-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 117099205
2-[6-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022029
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021224
2-[cyclopropylmethyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 43656513
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridin-6-amine
CID 117256043
N-methyl-2-(6-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 82055266
6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099177
2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028873
2-(7-methylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
CID 82403637
1-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 135396946
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82022022) is 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid is CC1CCCC(C)N1c1ccc2nc(CC(=O)O)cn2c1.
What is the InChIKey of 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is OEHNIRJDUNNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-3-5-12(2)19(11)14-6-7-15-17-13(8-16(20)21)9-18(15)10-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82022022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).