6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H15BrF3N3O2 — CID 53469785

IUPAC6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15BrF3N3O2/c1-2-14-16(25-10-12(19)5-8-15(25)24-14)17(26)23-9-11-3-6-13(7-4-11)27-18(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,26)
InChIKeyCJHHPEABILHAIY-UHFFFAOYSA-N
MW442.24 g/mol
LogP4.49
Rot. Bonds5

About 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53469785) has the molecular formula C18H15BrF3N3O2 and a molecular weight of 442.24 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53469785
Molecular FormulaC18H15BrF3N3O2
Molecular Weight442.24 g/mol
Exact Mass441.03
IUPAC Name6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15BrF3N3O2/c1-2-14-16(25-10-12(19)5-8-15(25)24-14)17(26)23-9-11-3-6-13(7-4-11)27-18(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,26)
InChIKeyCJHHPEABILHAIY-UHFFFAOYSA-N
XLogP4.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53469785) is 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CJHHPEABILHAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N3O2/c1-2-14-16(25-10-12(19)5-8-15(25)24-14)17(26)23-9-11-3-6-13(7-4-11)27-18(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,26).
What are the key properties of 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 442.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53469785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).