3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid

C25H20N4O2 — CID 174615942

IUPAC3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCc2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1
InChIInChI=1S/C25H20N4O2/c30-25(31)21-6-1-4-18(14-21)8-9-19-10-13-28-23(17-26-24(28)15-19)20-5-2-7-22(16-20)29-12-3-11-27-29/h1-7,10-17H,8-9H2,(H,30,31)
InChIKeyFFWZMLIVQRECNO-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.67
Rot. Bonds6

About 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid

3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid (PubChem CID 174615942) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid
PubChem CID174615942
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCc2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1
InChIInChI=1S/C25H20N4O2/c30-25(31)21-6-1-4-18(14-21)8-9-19-10-13-28-23(17-26-24(28)15-19)20-5-2-7-22(16-20)29-12-3-11-27-29/h1-7,10-17H,8-9H2,(H,30,31)
InChIKeyFFWZMLIVQRECNO-UHFFFAOYSA-N
XLogP4.67
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide
CID 142784535
7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine
CID 160598065
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
CID 143707078
5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 157063395
methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157275453
3-[2-(3,5-dioxo-1,2,4-triazolidin-4-yl)ethyl]benzoic acid
CID 107409486
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
4-[1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56888182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid?
The IUPAC name of 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid (CID 174615942) is 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid is O=C(O)c1cccc(CCc2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1.
What is the InChIKey of 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid?
The InChIKey is FFWZMLIVQRECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-25(31)21-6-1-4-18(14-21)8-9-19-10-13-28-23(17-26-24(28)15-19)20-5-2-7-22(16-20)29-12-3-11-27-29/h1-7,10-17H,8-9H2,(H,30,31).
What are the key properties of 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid?
3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid has a molecular weight of 408.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid is sourced from PubChem (CID 174615942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).