2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

C23H18F3N3O2 — CID 142615466

IUPAC2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O2/c1-15-5-8-17(12-19(15)23(24,25)26)28-22(30)14-31-18-9-6-16(7-10-18)20-13-27-21-4-2-3-11-29(20)21/h2-13H,14H2,1H3,(H,28,30)
InChIKeyPCQLCHOOMYDVJN-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.35
Rot. Bonds5

About 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 142615466) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID142615466
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O2/c1-15-5-8-17(12-19(15)23(24,25)26)28-22(30)14-31-18-9-6-16(7-10-18)20-13-27-21-4-2-3-11-29(20)21/h2-13H,14H2,1H3,(H,28,30)
InChIKeyPCQLCHOOMYDVJN-UHFFFAOYSA-N
XLogP5.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 142615466) is 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PCQLCHOOMYDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-15-5-8-17(12-19(15)23(24,25)26)28-22(30)14-31-18-9-6-16(7-10-18)20-13-27-21-4-2-3-11-29(20)21/h2-13H,14H2,1H3,(H,28,30).
What are the key properties of 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 425.41 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 142615466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).