1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

C21H23N3O3 — CID 2759661

IUPAC1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccn3c2CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-7-5-15(6-8-17)20-18(24-11-3-2-4-19(24)22-20)14-23-12-9-16(10-13-23)21(25)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,25,26)
InChIKeyUKTYLTOSVBDMPU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.31
Rot. Bonds5

About 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 2759661) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
PubChem CID2759661
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccn3c2CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-7-5-15(6-8-17)20-18(24-11-3-2-4-19(24)22-20)14-23-12-9-16(10-13-23)21(25)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,25,26)
InChIKeyUKTYLTOSVBDMPU-UHFFFAOYSA-N
XLogP3.31
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
1-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid
CID 2759641
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone
CID 134203683
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 129225981
2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387872
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (CID 2759661) is 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is COc1ccc(-c2nc3ccccn3c2CN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is UKTYLTOSVBDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-7-5-15(6-8-17)20-18(24-11-3-2-4-19(24)22-20)14-23-12-9-16(10-13-23)21(25)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,25,26).
What are the key properties of 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 2759661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).