3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid

C24H20FN3O3 — CID 118720503

IUPAC3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc3nc(C(=O)NCc4ccc(F)cc4)cn3c2)cc1
InChIInChI=1S/C24H20FN3O3/c25-20-9-3-17(4-10-20)13-26-24(31)21-15-28-14-19(8-11-22(28)27-21)18-6-1-16(2-7-18)5-12-23(29)30/h1-4,6-11,14-15H,5,12-13H2,(H,26,31)(H,29,30)
InChIKeySDMGOPUIZLXHIM-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.09
Rot. Bonds7

About 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid

3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid (PubChem CID 118720503) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid
PubChem CID118720503
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc3nc(C(=O)NCc4ccc(F)cc4)cn3c2)cc1
InChIInChI=1S/C24H20FN3O3/c25-20-9-3-17(4-10-20)13-26-24(31)21-15-28-14-19(8-11-22(28)27-21)18-6-1-16(2-7-18)5-12-23(29)30/h1-4,6-11,14-15H,5,12-13H2,(H,26,31)(H,29,30)
InChIKeySDMGOPUIZLXHIM-UHFFFAOYSA-N
XLogP4.09
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid with MolForge

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Related Compounds

2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695804
6-(2-amino-3-pyridinyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118720501
N-benzyl-6-(2,6-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876569
2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695669
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872
6-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690144
6-(3,5-difluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 83558087
6-(3-chlorophenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876507
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid (CID 118720503) is 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid is O=C(O)CCc1ccc(-c2ccc3nc(C(=O)NCc4ccc(F)cc4)cn3c2)cc1.
What is the InChIKey of 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid?
The InChIKey is SDMGOPUIZLXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c25-20-9-3-17(4-10-20)13-26-24(31)21-15-28-14-19(8-11-22(28)27-21)18-6-1-16(2-7-18)5-12-23(29)30/h1-4,6-11,14-15H,5,12-13H2,(H,26,31)(H,29,30).
What are the key properties of 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid?
3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid has a molecular weight of 417.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid is sourced from PubChem (CID 118720503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).