4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid

C17H15ClN2O2 — CID 70025253

IUPAC4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESO=C(O)CCCc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H15ClN2O2/c18-13-9-7-12(8-10-13)17-14(4-3-6-16(21)22)20-11-2-1-5-15(20)19-17/h1-2,5,7-11H,3-4,6H2,(H,21,22)
InChIKeySQRYZDMXMSSFSU-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.06
Rot. Bonds5

About 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid

4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid (PubChem CID 70025253) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
PubChem CID70025253
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
SMILESO=C(O)CCCc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H15ClN2O2/c18-13-9-7-12(8-10-13)17-14(4-3-6-16(21)22)20-11-2-1-5-15(20)19-17/h1-2,5,7-11H,3-4,6H2,(H,21,22)
InChIKeySQRYZDMXMSSFSU-UHFFFAOYSA-N
XLogP4.06
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 95056650
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53036628
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53118584
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
CID 123204073

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The IUPAC name of 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid (CID 70025253) is 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The canonical SMILES for 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid is O=C(O)CCCc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
The InChIKey is SQRYZDMXMSSFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-9-7-12(8-10-13)17-14(4-3-6-16(21)22)20-11-2-1-5-15(20)19-17/h1-2,5,7-11H,3-4,6H2,(H,21,22).
What are the key properties of 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid?
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid has a molecular weight of 314.77 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 70025253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).