6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C19H16F3N3O3 — CID 68747812

IUPAC6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3ccc(N4CCOCC4)cc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-1-3-14(4-2-12)24-5-7-28-8-6-24/h1-4,9-11H,5-8H2,(H,26,27)
InChIKeyVFAZUJHLDZRHKQ-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.55
Rot. Bonds3

About 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68747812) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68747812
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3ccc(N4CCOCC4)cc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-1-3-14(4-2-12)24-5-7-28-8-6-24/h1-4,9-11H,5-8H2,(H,26,27)
InChIKeyVFAZUJHLDZRHKQ-UHFFFAOYSA-N
XLogP3.55
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-(pyridin-4-yl)-1H-imidazole-4-carboxylate
CID 44407199
Imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 117607528
Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
CID 89055
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 27282729
ethyl 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 136030724
Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate
CID 23120543
1,2-Diphenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11098320
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
4-Amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylic acid
CID 68169999
Ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate
CID 71657175
US9884868, Example 274C''
CID 122510556

Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68747812) is 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(-c3ccc(N4CCOCC4)cc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is VFAZUJHLDZRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)15-9-13(10-25-11-16(18(26)27)23-17(15)25)12-1-3-14(4-2-12)24-5-7-28-8-6-24/h1-4,9-11H,5-8H2,(H,26,27).
What are the key properties of 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 391.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68747812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).