(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

C17H14ClN3O2 — CID 2349294

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+
InChIKeyRRSXKQQQHALWBX-MDZDMXLPSA-N
MW327.77 g/mol
LogP3.65
Rot. Bonds4

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 2349294) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID2349294
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+
InChIKeyRRSXKQQQHALWBX-MDZDMXLPSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
9-ethyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine
CID 24810999
7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
CID 56663414
1-[4-[3-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663567
7-N-(2-chloro-4-methoxyphenyl)-6-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
CID 56683763
7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
CID 56683764
N-(4-methoxyphenyl)-N,2-dimethyl-5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 145987856
2-chloro-N-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 2349370
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 2533606
N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214193
6-chloro-N-(4-methoxyphenyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 4159072

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (CID 2349294) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is RRSXKQQQHALWBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 327.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 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-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2349294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).