3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C19H17F3N2O3 — CID 146550612

IUPAC3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)c1c(Cc2ccccc2OC(F)(F)F)nc2cc(C(=O)O)ccn12
InChIInChI=1S/C19H17F3N2O3/c1-11(2)17-14(23-16-10-13(18(25)26)7-8-24(16)17)9-12-5-3-4-6-15(12)27-19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyJELOLKRSEBNVJX-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.65
Rot. Bonds5

About 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 146550612) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID146550612
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)c1c(Cc2ccccc2OC(F)(F)F)nc2cc(C(=O)O)ccn12
InChIInChI=1S/C19H17F3N2O3/c1-11(2)17-14(23-16-10-13(18(25)26)7-8-24(16)17)9-12-5-3-4-6-15(12)27-19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,26)
InChIKeyJELOLKRSEBNVJX-UHFFFAOYSA-N
XLogP4.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

6-chloro-2-propan-2-yl-4-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylic acid
CID 71556819
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141394707
4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 90920038
3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzoic acid
CID 135884608
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
4-chloro-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzoic acid
CID 135884609
2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
CID 155306258
2-(phenoxymethyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]indole-5-carboxylic acid
CID 69106670
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 146550612) is 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is CC(C)c1c(Cc2ccccc2OC(F)(F)F)nc2cc(C(=O)O)ccn12.
What is the InChIKey of 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is JELOLKRSEBNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-11(2)17-14(23-16-10-13(18(25)26)7-8-24(16)17)9-12-5-3-4-6-15(12)27-19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H,25,26).
What are the key properties of 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 378.35 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 146550612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).