2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide

C17H15F3N4O3 — CID 71293862

IUPAC2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide
SMILESCCc1nc2c[n+]([O-])ccn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O3/c1-2-13-15(24-8-7-23(26)10-14(24)22-13)16(25)21-9-11-3-5-12(6-4-11)27-17(18,19)20/h3-8,10H,2,9H2,1H3,(H,21,25)
InChIKeyILIFTLAWFICIGM-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.36
Rot. Bonds5

About 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide

2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide (PubChem CID 71293862) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide
PubChem CID71293862
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide
SMILESCCc1nc2c[n+]([O-])ccn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O3/c1-2-13-15(24-8-7-23(26)10-14(24)22-13)16(25)21-9-11-3-5-12(6-4-11)27-17(18,19)20/h3-8,10H,2,9H2,1H3,(H,21,25)
InChIKeyILIFTLAWFICIGM-UHFFFAOYSA-N
XLogP2.36
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 162601668
6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469785
CID 123986024
CID 123986024
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134816766
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide?
The IUPAC name of 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide (CID 71293862) is 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide.
What is the SMILES notation for 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide?
The canonical SMILES for 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide is CCc1nc2c[n+]([O-])ccn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide?
The InChIKey is ILIFTLAWFICIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-2-13-15(24-8-7-23(26)10-14(24)22-13)16(25)21-9-11-3-5-12(6-4-11)27-17(18,19)20/h3-8,10H,2,9H2,1H3,(H,21,25).
What are the key properties of 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide?
2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide is sourced from PubChem (CID 71293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).