propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate

C16H18ClN3O3 — CID 51110888

IUPACpropan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H18ClN3O3/c1-11(2)23-15(22)8-9-18-14(21)7-6-12-16(17)19-13-5-3-4-10-20(12)13/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)/b7-6+
InChIKeyOHRIIOKBOJLIDZ-VOTSOKGWSA-N
MW335.79 g/mol
LogP2.46
Rot. Bonds6

About propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate

propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate (PubChem CID 51110888) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
PubChem CID51110888
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Namepropan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H18ClN3O3/c1-11(2)23-15(22)8-9-18-14(21)7-6-12-16(17)19-13-5-3-4-10-20(12)13/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)/b7-6+
InChIKeyOHRIIOKBOJLIDZ-VOTSOKGWSA-N
XLogP2.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
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-[[3-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 94201750
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
methyl 2-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-4-methylpentanoate
CID 51162364
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8951314
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 166214968
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 76863470

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate (CID 51110888) is propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate?
The InChIKey is OHRIIOKBOJLIDZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11(2)23-15(22)8-9-18-14(21)7-6-12-16(17)19-13-5-3-4-10-20(12)13/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)/b7-6+.
What are the key properties of propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate?
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate has a molecular weight of 335.79 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate is sourced from PubChem (CID 51110888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).