1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid

C15H18BrN3O2 — CID 122040821

IUPAC1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(Br)cn2c(CN3CCCC(C(=O)O)C3)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-10-5-12(16)8-19-13(6-17-14(10)19)9-18-4-2-3-11(7-18)15(20)21/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,21)
InChIKeyQENYGWGGJWBGEV-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.70
Rot. Bonds3

About 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid

1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 122040821) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID122040821
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(Br)cn2c(CN3CCCC(C(=O)O)C3)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-10-5-12(16)8-19-13(6-17-14(10)19)9-18-4-2-3-11(7-18)15(20)21/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,21)
InChIKeyQENYGWGGJWBGEV-UHFFFAOYSA-N
XLogP2.70
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-2-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045000
6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120968560
1-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82136192
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
(3R)-1-[(5-bromo-3-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166268296
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid (CID 122040821) is 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid is Cc1cc(Br)cn2c(CN3CCCC(C(=O)O)C3)cnc12.
What is the InChIKey of 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is QENYGWGGJWBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-5-12(16)8-19-13(6-17-14(10)19)9-18-4-2-3-11(7-18)15(20)21/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,21).
What are the key properties of 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 352.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).