2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C17H14FN3O3 — CID 44519284

IUPAC2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)O)cccc3n2)ccc1F
InChIInChI=1S/C17H14FN3O3/c1-10-7-11(5-6-12(10)18)8-19-16(22)13-9-21-14(17(23)24)3-2-4-15(21)20-13/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24)
InChIKeyVSEBDMGIWSQIOP-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.41
Rot. Bonds4

About 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 44519284) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID44519284
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)O)cccc3n2)ccc1F
InChIInChI=1S/C17H14FN3O3/c1-10-7-11(5-6-12(10)18)8-19-16(22)13-9-21-14(17(23)24)3-2-4-15(21)20-13/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24)
InChIKeyVSEBDMGIWSQIOP-UHFFFAOYSA-N
XLogP2.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 44519284) is 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid is Cc1cc(CNC(=O)c2cn3c(C(=O)O)cccc3n2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VSEBDMGIWSQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10-7-11(5-6-12(10)18)8-19-16(22)13-9-21-14(17(23)24)3-2-4-15(21)20-13/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 44519284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).