2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

C21H15F3N4O2 — CID 122578350

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESCc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4O2/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30)
InChIKeyHHFKZEZFLSKRSK-UHFFFAOYSA-N
MW412.37 g/mol
LogP5.17
Rot. Bonds4

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 122578350) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID122578350
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESCc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4O2/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30)
InChIKeyHHFKZEZFLSKRSK-UHFFFAOYSA-N
XLogP5.17
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic 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-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid
CID 23646627
Zolpidem carboxylic acid
CID 11966044
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
US10087188, Example 46
CID 90283189
US10087188, Example 1
CID 121454909
US10087188, Example 13
CID 121454977
US10087188, Example 30
CID 121454982
US10087188, Example 34
CID 121455511
US10087188, Example 80
CID 121455652
US10087188, Example 154
CID 121455673
US10087188, Example 158
CID 121455701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 122578350) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is Cc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is HHFKZEZFLSKRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30).
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid has a molecular weight of 412.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 122578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).