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

C21H22ClN3O3 — CID 2533606

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(CCN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C21H22ClN3O3/c1-24(13-11-15-7-9-17(27-2)18(14-15)28-3)20(26)10-8-16-21(22)23-19-6-4-5-12-25(16)19/h4-10,12,14H,11,13H2,1-3H3/b10-8+
InChIKeyIGRWVMALLCAXOK-CSKARUKUSA-N
MW399.88 g/mol
LogP3.72
Rot. Bonds7

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide (PubChem CID 2533606) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
PubChem CID2533606
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(CCN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C21H22ClN3O3/c1-24(13-11-15-7-9-17(27-2)18(14-15)28-3)20(26)10-8-16-21(22)23-19-6-4-5-12-25(16)19/h4-10,12,14H,11,13H2,1-3H3/b10-8+
InChIKeyIGRWVMALLCAXOK-CSKARUKUSA-N
XLogP3.72
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

SIS3 free base
CID 10138988
Bay 61-3606
CID 10200390
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
Sis3
CID 16079005
N-Butyl-2-(6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methylacetamide
CID 24945827
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine
CID 854979
3-Chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 1104473
(18F)Pbr 111
CID 24944913
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide (CID 2533606) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide is COc1ccc(CCN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide?
The InChIKey is IGRWVMALLCAXOK-CSKARUKUSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-24(13-11-15-7-9-17(27-2)18(14-15)28-3)20(26)10-8-16-21(22)23-19-6-4-5-12-25(16)19/h4-10,12,14H,11,13H2,1-3H3/b10-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide has a molecular weight of 399.88 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 2533606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).