(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide

C19H17ClFN3O2 — CID 26994192

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H17ClFN3O2/c1-23(12-13-26-15-7-5-14(21)6-8-15)18(25)10-9-16-19(20)22-17-4-2-3-11-24(16)17/h2-11H,12-13H2,1H3/b10-9+
InChIKeyCLIWKLVCERMBRV-MDZDMXLPSA-N
MW373.82 g/mol
LogP3.68
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide (PubChem CID 26994192) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide
PubChem CID26994192
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H17ClFN3O2/c1-23(12-13-26-15-7-5-14(21)6-8-15)18(25)10-9-16-19(20)22-17-4-2-3-11-24(16)17/h2-11H,12-13H2,1H3/b10-9+
InChIKeyCLIWKLVCERMBRV-MDZDMXLPSA-N
XLogP3.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(18F)Pbr 111
CID 24944913
2-(6-chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo(1,2-a)pyridin-3-yl)-N,N-diethylacetamide
CID 24895169
Pbr-111
CID 24895171
1-(8-(2,6-dimethylbenzyloxy)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 44583667
2-[(3-Fluorophenoxy)methyl]-6-(4-fluorophenyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 66550971
2-(4-fluoro-phenoxymethyl)-6-(4-fluoro-phenyl)-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 66550972
6-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 66551179
3-chloro-6-(4-fluoro-phenyl)-2-phenoxymethyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 66551373
6-[6-(Dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 66551571
6-(4-fluoro-phenyl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290289
6-(5-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290315
6-(5-fluoro-6-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290549

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide (CID 26994192) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide is CN(CCOc1ccc(F)cc1)C(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The InChIKey is CLIWKLVCERMBRV-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-23(12-13-26-15-7-5-14(21)6-8-15)18(25)10-9-16-19(20)22-17-4-2-3-11-24(16)17/h2-11H,12-13H2,1H3/b10-9+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide has a molecular weight of 373.82 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 26994192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).