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

C16H11ClIN3O — CID 26264961

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(I)cc1
InChIInChI=1S/C16H11ClIN3O/c17-16-13(21-10-2-1-3-14(21)20-16)8-9-15(22)19-12-6-4-11(18)5-7-12/h1-10H,(H,19,22)/b9-8+
InChIKeyPESWHCQHAMYFSR-CMDGGOBGSA-N
MW423.64 g/mol
LogP4.24
Rot. Bonds3

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide (PubChem CID 26264961) has the molecular formula C16H11ClIN3O and a molecular weight of 423.64 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
PubChem CID26264961
Molecular FormulaC16H11ClIN3O
Molecular Weight423.64 g/mol
Exact Mass422.96
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(I)cc1
InChIInChI=1S/C16H11ClIN3O/c17-16-13(21-10-2-1-3-14(21)20-16)8-9-15(22)19-12-6-4-11(18)5-7-12/h1-10H,(H,19,22)/b9-8+
InChIKeyPESWHCQHAMYFSR-CMDGGOBGSA-N
XLogP4.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 26908510
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141132
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 92511044
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide
CID 55967562
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide (CID 26264961) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(I)cc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide?
The InChIKey is PESWHCQHAMYFSR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H11ClIN3O/c17-16-13(21-10-2-1-3-14(21)20-16)8-9-15(22)19-12-6-4-11(18)5-7-12/h1-10H,(H,19,22)/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide has a molecular weight of 423.64 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide is sourced from PubChem (CID 26264961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).