ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

C18H12Cl2F3N3O3 — CID 57170960

IUPACethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12
InChIInChI=1S/C18H12Cl2F3N3O3/c1-2-29-17(28)13-14(18(21,22)23)25-15-11(7-4-8-26(13)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,24,27)
InChIKeyGUVXIRZNJSGNCO-UHFFFAOYSA-N
MW446.21 g/mol
LogP5.09
Rot. Bonds4

About ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 57170960) has the molecular formula C18H12Cl2F3N3O3 and a molecular weight of 446.21 g/mol. Its IUPAC name is ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID57170960
Molecular FormulaC18H12Cl2F3N3O3
Molecular Weight446.21 g/mol
Exact Mass445.02
IUPAC Nameethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12
InChIInChI=1S/C18H12Cl2F3N3O3/c1-2-29-17(28)13-14(18(21,22)23)25-15-11(7-4-8-26(13)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,24,27)
InChIKeyGUVXIRZNJSGNCO-UHFFFAOYSA-N
XLogP5.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.21
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 57170960) is ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12.
What is the InChIKey of ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is GUVXIRZNJSGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O3/c1-2-29-17(28)13-14(18(21,22)23)25-15-11(7-4-8-26(13)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,24,27).
What are the key properties of ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 446.21 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 57170960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).