3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide

C20H20ClN3O4 — CID 76884661

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(OC)c(CNC(=O)C=Cc2c(Cl)nc3ccccn23)c(OC)c1
InChIInChI=1S/C20H20ClN3O4/c1-26-13-10-16(27-2)14(17(11-13)28-3)12-22-19(25)8-7-15-20(21)23-18-6-4-5-9-24(15)18/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNOPWZXOALYPPME-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.34
Rot. Bonds7

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide (PubChem CID 76884661) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
PubChem CID76884661
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(OC)c(CNC(=O)C=Cc2c(Cl)nc3ccccn23)c(OC)c1
InChIInChI=1S/C20H20ClN3O4/c1-26-13-10-16(27-2)14(17(11-13)28-3)12-22-19(25)8-7-15-20(21)23-18-6-4-5-9-24(15)18/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNOPWZXOALYPPME-UHFFFAOYSA-N
XLogP3.34
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 94201750
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734820
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 86950286
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide (CID 76884661) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide is COc1cc(OC)c(CNC(=O)C=Cc2c(Cl)nc3ccccn23)c(OC)c1.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is NOPWZXOALYPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-26-13-10-16(27-2)14(17(11-13)28-3)12-22-19(25)8-7-15-20(21)23-18-6-4-5-9-24(15)18/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 401.85 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 76884661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).