8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C15H18FN3O2 — CID 82529628

IUPAC8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC1CCN(Cc2c(C(=O)O)nc3c(F)cccn23)CC1
InChIInChI=1S/C15H18FN3O2/c1-10-4-7-18(8-5-10)9-12-13(15(20)21)17-14-11(16)3-2-6-19(12)14/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,21)
InChIKeyJGQSCLGRGDBIGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.40
Rot. Bonds3

About 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82529628) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82529628
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC1CCN(Cc2c(C(=O)O)nc3c(F)cccn23)CC1
InChIInChI=1S/C15H18FN3O2/c1-10-4-7-18(8-5-10)9-12-13(15(20)21)17-14-11(16)3-2-6-19(12)14/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,21)
InChIKeyJGQSCLGRGDBIGT-UHFFFAOYSA-N
XLogP2.40
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122257
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529388
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 82529290
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82529628) is 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC1CCN(Cc2c(C(=O)O)nc3c(F)cccn23)CC1.
What is the InChIKey of 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is JGQSCLGRGDBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-4-7-18(8-5-10)9-12-13(15(20)21)17-14-11(16)3-2-6-19(12)14/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,21).
What are the key properties of 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82529628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).