ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate

C22H19ClF3N3O3 — CID 140678686

IUPACethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
SMILESCCOC(=O)CNCCc1nc2ccccn2c1C#Cc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C22H19ClF3N3O3/c1-2-31-21(30)14-27-11-10-17-18(29-12-4-3-5-20(29)28-17)9-7-15-6-8-16(23)19(13-15)32-22(24,25)26/h3-6,8,12-13,27H,2,10-11,14H2,1H3
InChIKeyUXGYFQQDYUPAMS-UHFFFAOYSA-N
MW465.86 g/mol
LogP3.98
Rot. Bonds7

About ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate

ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate (PubChem CID 140678686) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
PubChem CID140678686
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Nameethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
SMILESCCOC(=O)CNCCc1nc2ccccn2c1C#Cc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C22H19ClF3N3O3/c1-2-31-21(30)14-27-11-10-17-18(29-12-4-3-5-20(29)28-17)9-7-15-6-8-16(23)19(13-15)32-22(24,25)26/h3-6,8,12-13,27H,2,10-11,14H2,1H3
InChIKeyUXGYFQQDYUPAMS-UHFFFAOYSA-N
XLogP3.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate with MolForge

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Related Compounds

ethyl 2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methylsulfanyl]acetate
CID 73052291
ethyl 2-[1-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
CID 140729297
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674
ethyl 2-[[3-[2-[3-(2-oxopropyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 160948672
methyl 2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]benzoate
CID 73051808
N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide
CID 73051970
ethyl (2R)-2-methyl-3-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methylsulfanyl]propanoate
CID 73052601
tert-butyl 2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 122545975
ethyl 2-[3-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 156579945
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
sodium 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 73052926
2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 140678681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate?
The IUPAC name of ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate (CID 140678686) is ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate is CCOC(=O)CNCCc1nc2ccccn2c1C#Cc1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate?
The InChIKey is UXGYFQQDYUPAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-2-31-21(30)14-27-11-10-17-18(29-12-4-3-5-20(29)28-17)9-7-15-6-8-16(23)19(13-15)32-22(24,25)26/h3-6,8,12-13,27H,2,10-11,14H2,1H3.
What are the key properties of ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate?
ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate has a molecular weight of 465.86 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate is sourced from PubChem (CID 140678686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).