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

C17H21ClN4O2 — CID 102603310

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCCCN1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-17-14(22-9-2-1-4-15(22)20-17)5-6-16(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23)
InChIKeySAQMNNICYKASDU-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.84
Rot. Bonds6

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

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 102603310) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID102603310
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCCCN1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-17-14(22-9-2-1-4-15(22)20-17)5-6-16(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23)
InChIKeySAQMNNICYKASDU-UHFFFAOYSA-N
XLogP1.84
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 76863470
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
CID 10270426
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
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-[[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-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 102603310) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is O=C(C=Cc1c(Cl)nc2ccccn12)NCCCN1CCOCC1.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is SAQMNNICYKASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-17-14(22-9-2-1-4-15(22)20-17)5-6-16(23)19-7-3-8-21-10-12-24-13-11-21/h1-2,4-6,9H,3,7-8,10-13H2,(H,19,23).
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 348.83 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 102603310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).