(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide

C22H24ClN4O2+ — CID 9149533

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c23-22-19(27-11-5-4-8-20(27)25-22)9-10-21(28)24-18(17-6-2-1-3-7-17)16-26-12-14-29-15-13-26/h1-11,18H,12-16H2,(H,24,28)/p+1/b10-9+/t18-/m0/s1
InChIKeyAJTQUUPDBGHJGB-BBVFFXRHSA-O
MW411.91 g/mol
LogP1.77
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide (PubChem CID 9149533) has the molecular formula C22H24ClN4O2+ and a molecular weight of 411.91 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
PubChem CID9149533
Molecular FormulaC22H24ClN4O2+
Molecular Weight411.91 g/mol
Exact Mass411.16
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c23-22-19(27-11-5-4-8-20(27)25-22)9-10-21(28)24-18(17-6-2-1-3-7-17)16-26-12-14-29-15-13-26/h1-11,18H,12-16H2,(H,24,28)/p+1/b10-9+/t18-/m0/s1
InChIKeyAJTQUUPDBGHJGB-BBVFFXRHSA-O
XLogP1.77
TPSA60.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-chloro-4-methylphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149716
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 102603263
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149941
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9148750
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9410017
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9150471
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9149673
methyl 2-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-4-methylpentanoate
CID 51162364
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-(oxan-4-yl)amino]propanoic acid
CID 129009140
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide?
The IUPAC name of (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) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide?
The InChIKey is AJTQUUPDBGHJGB-BBVFFXRHSA-O. The full InChI is InChI=1S/C22H23ClN4O2/c23-22-19(27-11-5-4-8-20(27)25-22)9-10-21(28)24-18(17-6-2-1-3-7-17)16-26-12-14-29-15-13-26/h1-11,18H,12-16H2,(H,24,28)/p+1/b10-9+/t18-/m0/s1.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide has a molecular weight of 411.91 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 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-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 9149533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).