ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]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)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
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
MW453.42 g/mol
LogP5.45
Rot. Bonds5

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

ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 23120543) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 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-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID23120543
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Nameethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
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
XLogP5.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]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-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]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-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 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 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]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).