methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

C24H18F3N3O3 — CID 23120581

IUPACmethyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn2c1C
InChIInChI=1S/C24H18F3N3O3/c1-14-21(23(32)33-2)29-20-12-11-19(13-30(14)20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-13H,1-2H3,(H,28,31)
InChIKeyJIUWCLXLKOUIHY-UHFFFAOYSA-N
MW453.42 g/mol
LogP5.37
Rot. Bonds4

About methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 23120581) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID23120581
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Namemethyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn2c1C
InChIInChI=1S/C24H18F3N3O3/c1-14-21(23(32)33-2)29-20-12-11-19(13-30(14)20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-13H,1-2H3,(H,28,31)
InChIKeyJIUWCLXLKOUIHY-UHFFFAOYSA-N
XLogP5.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]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 methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 23120581) is methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn2c1C.
What is the InChIKey of methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JIUWCLXLKOUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-14-21(23(32)33-2)29-20-12-11-19(13-30(14)20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-13H,1-2H3,(H,28,31).
What are the key properties of methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 453.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 23120581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).