N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C17H14F3N3O3 — CID 67120307

IUPACN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCOc1ccc(OC(F)(F)F)cc1)c1cnc2ccccn12
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)26-13-6-4-12(5-7-13)25-10-8-21-16(24)14-11-22-15-3-1-2-9-23(14)15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyKASRZKDJUKWJBF-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67120307) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67120307
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC NameN-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCOc1ccc(OC(F)(F)F)cc1)c1cnc2ccccn12
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)26-13-6-4-12(5-7-13)25-10-8-21-16(24)14-11-22-15-3-1-2-9-23(14)15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyKASRZKDJUKWJBF-UHFFFAOYSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59296114
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300
N-[(4-methoxyphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935516
N-[(3-methoxyphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248893
2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67401503
6-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 68308472
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70984069
2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009858
2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71761816

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67120307) is N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCOc1ccc(OC(F)(F)F)cc1)c1cnc2ccccn12.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KASRZKDJUKWJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-17(19,20)26-13-6-4-12(5-7-13)25-10-8-21-16(24)14-11-22-15-3-1-2-9-23(14)15/h1-7,9,11H,8,10H2,(H,21,24).
What are the key properties of N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).