2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid

C24H14F3N3O2 — CID 123199115

IUPAC2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)c3ncc(C(F)c4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C24H14F3N3O2/c25-18-9-13(3-5-17(18)24(31)32)16-10-19(26)23-29-11-21(30(23)12-16)22(27)15-4-6-20-14(8-15)2-1-7-28-20/h1-12,22H,(H,31,32)
InChIKeySQQRODKJOSFFJG-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.58
Rot. Bonds4

About 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid

2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid (PubChem CID 123199115) has the molecular formula C24H14F3N3O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid
PubChem CID123199115
Molecular FormulaC24H14F3N3O2
Molecular Weight433.39 g/mol
Exact Mass433.10
IUPAC Name2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)c3ncc(C(F)c4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C24H14F3N3O2/c25-18-9-13(3-5-17(18)24(31)32)16-10-19(26)23-29-11-21(30(23)12-16)22(27)15-4-6-20-14(8-15)2-1-7-28-20/h1-12,22H,(H,31,32)
InChIKeySQQRODKJOSFFJG-UHFFFAOYSA-N
XLogP5.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid with MolForge

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
3-(Cyclopropylamino)-5-(3-(trifluoromethyl)phenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 49779959
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-Fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid (CID 123199115) is 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid is O=C(O)c1ccc(-c2cc(F)c3ncc(C(F)c4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The InChIKey is SQQRODKJOSFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O2/c25-18-9-13(3-5-17(18)24(31)32)16-10-19(26)23-29-11-21(30(23)12-16)22(27)15-4-6-20-14(8-15)2-1-7-28-20/h1-12,22H,(H,31,32).
What are the key properties of 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid?
2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid has a molecular weight of 433.39 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-fluoro-3-[fluoro(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzoic acid is sourced from PubChem (CID 123199115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).