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

C22H17ClN4O — CID 102603263

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H17ClN4O/c23-22-18(27-15-7-5-11-19(27)25-22)12-13-20(28)26-21(16-8-2-1-3-9-16)17-10-4-6-14-24-17/h1-15,21H,(H,26,28)/b13-12+
InChIKeyBNCISXSJPLNXJZ-OUKQBFOZSA-N
MW388.86 g/mol
LogP4.30
Rot. Bonds5

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide (PubChem CID 102603263) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
PubChem CID102603263
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H17ClN4O/c23-22-18(27-15-7-5-11-19(27)25-22)12-13-20(28)26-21(16-8-2-1-3-9-16)17-10-4-6-14-24-17/h1-15,21H,(H,26,28)/b13-12+
InChIKeyBNCISXSJPLNXJZ-OUKQBFOZSA-N
XLogP4.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.30
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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9410017
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
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N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149533
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 75532233
methyl 2-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-4-methylpentanoate
CID 51162364
N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide
CID 86948427
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 86950286
(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 46797124

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide (CID 102603263) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The InChIKey is BNCISXSJPLNXJZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-22-18(27-15-7-5-11-19(27)25-22)12-13-20(28)26-21(16-8-2-1-3-9-16)17-10-4-6-14-24-17/h1-15,21H,(H,26,28)/b13-12+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide has a molecular weight of 388.86 g/mol, XLogP of 4.30, 5 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-[phenyl(pyridin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 102603263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).