3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid

C24H16FN3O2 — CID 123180914

IUPAC3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C24H16FN3O2/c25-21-12-19(16-3-1-4-18(11-16)24(29)30)14-28-20(13-27-23(21)28)10-15-6-7-22-17(9-15)5-2-8-26-22/h1-9,11-14H,10H2,(H,29,30)
InChIKeyMJZSCVZBYFRHQL-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.98
Rot. Bonds4

About 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid

3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid (PubChem CID 123180914) has the molecular formula C24H16FN3O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid.

Molecular Properties

Compound Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid
PubChem CID123180914
Molecular FormulaC24H16FN3O2
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C24H16FN3O2/c25-21-12-19(16-3-1-4-18(11-16)24(29)30)14-28-20(13-27-23(21)28)10-15-6-7-22-17(9-15)5-2-8-26-22/h1-9,11-14H,10H2,(H,29,30)
InChIKeyMJZSCVZBYFRHQL-UHFFFAOYSA-N
XLogP4.98
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-[5-[(2-Ethyl-4-methyl-6-pyridin-2-ylbenzimidazol-1-yl)methyl]indol-1-yl]benzoic acid
CID 127053346
3-[N-(2-carboxybenzoyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10026868
3-[N-(2-carboxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10048776
4''-(6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
CID 10074709
3-[N-(2-carbomethoxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 11744592
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
2-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
CID 19008869
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
5-(3,5-Difluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53318248
5-(3-Fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53319610

Frequently Asked Questions

What is the IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid (CID 123180914) is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid.
What is the SMILES notation for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The canonical SMILES for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid is O=C(O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1.
What is the InChIKey of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The InChIKey is MJZSCVZBYFRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2/c25-21-12-19(16-3-1-4-18(11-16)24(29)30)14-28-20(13-27-23(21)28)10-15-6-7-22-17(9-15)5-2-8-26-22/h1-9,11-14H,10H2,(H,29,30).
What are the key properties of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid has a molecular weight of 397.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid is sourced from PubChem (CID 123180914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).