Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate

C24H18F3N3O3 — CID 23120543

IUPACethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F
InChIInChI=1S/C24H18F3N3O3/c1-2-33-23(32)20-14-30-13-19(11-12-21(30)29-20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-14H,2H2,1H3,(H,28,31)
InChIKeyAABAPQXESPRCSA-UHFFFAOYSA-N
MW453.40 g/mol
LogP5.70
Rot. Bonds6

About Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate

Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 23120543) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.40 g/mol. Its IUPAC name is ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound NameEthyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID23120543
Molecular FormulaC24H18F3N3O3
Molecular Weight453.40 g/mol
Exact Mass453.13
IUPAC Nameethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F
InChIInChI=1S/C24H18F3N3O3/c1-2-33-23(32)20-14-30-13-19(11-12-21(30)29-20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-14H,2H2,1H3,(H,28,31)
InChIKeyAABAPQXESPRCSA-UHFFFAOYSA-N
XLogP5.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity688

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate (CID 23120543) is ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)C1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F.
What is the InChIKey of Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is AABAPQXESPRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-2-33-23(32)20-14-30-13-19(11-12-21(30)29-20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-14H,2H2,1H3,(H,28,31).
What are the key properties of Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate?
Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 453.40 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 23120543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).