2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

C17H23N3O2 — CID 82028873

IUPAC2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccc2nc(CC(=O)O)c(CN3CCCCC3C)n2c1
InChIInChI=1S/C17H23N3O2/c1-12-6-7-16-18-14(9-17(21)22)15(20(16)10-12)11-19-8-4-3-5-13(19)2/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,21,22)
InChIKeyNESFMQKGBRRNMI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds4

About 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82028873) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82028873
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccc2nc(CC(=O)O)c(CN3CCCCC3C)n2c1
InChIInChI=1S/C17H23N3O2/c1-12-6-7-16-18-14(9-17(21)22)15(20(16)10-12)11-19-8-4-3-5-13(19)2/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,21,22)
InChIKeyNESFMQKGBRRNMI-UHFFFAOYSA-N
XLogP2.64
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119804
2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119717
2-[3-[(2-ethylpiperidin-1-yl)methyl]-6-nitroimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028927
3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028938
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
6-benzyl-12-methyl-5-(2-methylpiperidine-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4903980

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82028873) is 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is Cc1ccc2nc(CC(=O)O)c(CN3CCCCC3C)n2c1.
What is the InChIKey of 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is NESFMQKGBRRNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-6-7-16-18-14(9-17(21)22)15(20(16)10-12)11-19-8-4-3-5-13(19)2/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82028873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).