N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide

C20H18FN3O3 — CID 73051970

IUPACN-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide
SMILESCCONC(=O)COCc1nc2ccccn2c1C#Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-23-20(25)14-26-13-17-18(24-12-4-3-5-19(24)22-17)11-8-15-6-9-16(21)10-7-15/h3-7,9-10,12H,2,13-14H2,1H3,(H,23,25)
InChIKeyPJWUARPKCCZHGJ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.46
Rot. Bonds6

About N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide

N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide (PubChem CID 73051970) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide
PubChem CID73051970
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide
SMILESCCONC(=O)COCc1nc2ccccn2c1C#Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-23-20(25)14-26-13-17-18(24-12-4-3-5-19(24)22-17)11-8-15-6-9-16(21)10-7-15/h3-7,9-10,12H,2,13-14H2,1H3,(H,23,25)
InChIKeyPJWUARPKCCZHGJ-UHFFFAOYSA-N
XLogP2.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 122545975
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
ethyl 2-[[3-[2-[3-(2-oxopropyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
CID 160948672
ethyl 2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methylsulfanyl]acetate
CID 73052291
ethyl 2-[2-[3-[2-[4-chloro-3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
CID 140678686
methyl 2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]benzoate
CID 73051808
ethyl (2R)-2-methyl-3-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methylsulfanyl]propanoate
CID 73052601
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxymethyl]benzoic acid
CID 122526199
ethyl 2-[1-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]ethylamino]acetate
CID 140729297
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide?
The IUPAC name of N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide (CID 73051970) is N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide.
What is the SMILES notation for N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide?
The canonical SMILES for N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide is CCONC(=O)COCc1nc2ccccn2c1C#Cc1ccc(F)cc1.
What is the InChIKey of N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide?
The InChIKey is PJWUARPKCCZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-27-23-20(25)14-26-13-17-18(24-12-4-3-5-19(24)22-17)11-8-15-6-9-16(21)10-7-15/h3-7,9-10,12H,2,13-14H2,1H3,(H,23,25).
What are the key properties of N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide?
N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]acetamide is sourced from PubChem (CID 73051970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).